N-(1-benzylpiperidin-4-yl)-4-phenylmethoxybenzamide;4-butoxy-N-[[1-(dimethylamino)-4,4-difluorocyclohexyl]methyl]benzamide;4-butoxy-N-[[4-(dimethylamino)oxan-4-yl]methyl]benzamide;N-[[1-(dimethylamino)-4,4-difluorocyclohexyl]methyl]-4-phenylmethoxybenzamide;N-[[4-(dimethylamino)oxan-4-yl]methyl]-4-phenylmethoxybenzamide;N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-4-phenylmethoxybenzamide

C136H179F4N13O14 — CID 157494132

IUPACN-(1-benzylpiperidin-4-yl)-4-phenylmethoxybenzamide;4-butoxy-N-[[1-(dimethylamino)-4,4-difluorocyclohexyl]methyl]benzamide;4-butoxy-N-[[4-(dimethylamino)oxan-4-yl]methyl]benzamide;N-[[1-(dimethylamino)-4,4-difluorocyclohexyl]methyl]-4-phenylmethoxybenzamide;N-[[4-(dimethylamino)oxan-4-yl]methyl]-4-phenylmethoxybenzamide;N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-4-phenylmethoxybenzamide
SMILESCCCCOc1ccc(C(=O)NCC2(N(C)C)CCC(F)(F)CC2)cc1.CCCCOc1ccc(C(=O)NCC2(N(C)C)CCOCC2)cc1.CN(C)C1(CNC(=O)c2ccc(OCc3ccccc3)cc2)CCC(F)(F)CC1.CN(C)C1(CNC(=O)c2ccc(OCc3ccccc3)cc2)CCOCC1.CN1CCN(C2(CNC(=O)c3ccc(OCc4ccccc4)cc3)CCCCC2)CC1.O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C26H35N3O2.C26H28N2O2.C23H28F2N2O2.C22H28N2O3.C20H30F2N2O2.C19H30N2O3/c1-28-16-18-29(19-17-28)26(14-6-3-7-15-26)21-27-25(30)23-10-12-24(13-11-23)31-20-22-8-4-2-5-9-22;29-26(23-11-13-25(14-12-23)30-20-22-9-5-2-6-10-22)27-24-15-17-28(18-16-24)19-21-7-3-1-4-8-21;1-27(2)22(12-14-23(24,25)15-13-22)17-26-21(28)19-8-10-20(11-9-19)29-16-18-6-4-3-5-7-18;1-24(2)22(12-14-26-15-13-22)17-23-21(25)19-8-10-20(11-9-19)27-16-18-6-4-3-5-7-18;1-4-5-14-26-17-8-6-16(7-9-17)18(25)23-15-19(24(2)3)10-12-20(21,22)13-11-19;1-4-5-12-24-17-8-6-16(7-9-17)18(22)20-15-19(21(2)3)10-13-23-14-11-19/h2,4-5,8-13H,3,6-7,14-21H2,1H3,(H,27,30);1-14,24H,15-20H2,(H,27,29);3-11H,12-17H2,1-2H3,(H,26,28);3-11H,12-17H2,1-2H3,(H,23,25);6-9H,4-5,10-15H2,1-3H3,(H,23,25);6-9H,4-5,10-15H2,1-3H3,(H,20,22)
InChIKeyBXPVAOSXPYEVFJ-UHFFFAOYSA-N
MW2296.00 g/mol
LogP23.03
Rot. Bonds44

About N-(1-benzylpiperidin-4-yl)-4-phenylmethoxybenzamide;4-butoxy-N-[[1-(dimethylamino)-4,4-difluorocyclohexyl]methyl]benzamide;4-butoxy-N-[[4-(dimethylamino)oxan-4-yl]methyl]benzamide;N-[[1-(dimethylamino)-4,4-difluorocyclohexyl]methyl]-4-phenylmethoxybenzamide;N-[[4-(dimethylamino)oxan-4-yl]methyl]-4-phenylmethoxybenzamide;N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-4-phenylmethoxybenzamide

N-(1-benzylpiperidin-4-yl)-4-phenylmethoxybenzamide;4-butoxy-N-[[1-(dimethylamino)-4,4-difluorocyclohexyl]methyl]benzamide;4-butoxy-N-[[4-(dimethylamino)oxan-4-yl]methyl]benzamide;N-[[1-(dimethylamino)-4,4-difluorocyclohexyl]methyl]-4-phenylmethoxybenzamide;N-[[4-(dimethylamino)oxan-4-yl]methyl]-4-phenylmethoxybenzamide;N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-4-phenylmethoxybenzamide (PubChem CID 157494132) has the molecular formula C136H179F4N13O14 and a molecular weight of 2296.00 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-4-phenylmethoxybenzamide;4-butoxy-N-[[1-(dimethylamino)-4,4-difluorocyclohexyl]methyl]benzamide;4-butoxy-N-[[4-(dimethylamino)oxan-4-yl]methyl]benzamide;N-[[1-(dimethylamino)-4,4-difluorocyclohexyl]methyl]-4-phenylmethoxybenzamide;N-[[4-(dimethylamino)oxan-4-yl]methyl]-4-phenylmethoxybenzamide;N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-4-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-4-phenylmethoxybenzamide;4-butoxy-N-[[1-(dimethylamino)-4,4-difluorocyclohexyl]methyl]benzamide;4-butoxy-N-[[4-(dimethylamino)oxan-4-yl]methyl]benzamide;N-[[1-(dimethylamino)-4,4-difluorocyclohexyl]methyl]-4-phenylmethoxybenzamide;N-[[4-(dimethylamino)oxan-4-yl]methyl]-4-phenylmethoxybenzamide;N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-4-phenylmethoxybenzamide
PubChem CID157494132
Molecular FormulaC136H179F4N13O14
Molecular Weight2296.00 g/mol
Exact Mass2294.36
IUPAC NameN-(1-benzylpiperidin-4-yl)-4-phenylmethoxybenzamide;4-butoxy-N-[[1-(dimethylamino)-4,4-difluorocyclohexyl]methyl]benzamide;4-butoxy-N-[[4-(dimethylamino)oxan-4-yl]methyl]benzamide;N-[[1-(dimethylamino)-4,4-difluorocyclohexyl]methyl]-4-phenylmethoxybenzamide;N-[[4-(dimethylamino)oxan-4-yl]methyl]-4-phenylmethoxybenzamide;N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-4-phenylmethoxybenzamide
SMILESCCCCOc1ccc(C(=O)NCC2(N(C)C)CCC(F)(F)CC2)cc1.CCCCOc1ccc(C(=O)NCC2(N(C)C)CCOCC2)cc1.CN(C)C1(CNC(=O)c2ccc(OCc3ccccc3)cc2)CCC(F)(F)CC1.CN(C)C1(CNC(=O)c2ccc(OCc3ccccc3)cc2)CCOCC1.CN1CCN(C2(CNC(=O)c3ccc(OCc4ccccc4)cc3)CCCCC2)CC1.O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C26H35N3O2.C26H28N2O2.C23H28F2N2O2.C22H28N2O3.C20H30F2N2O2.C19H30N2O3/c1-28-16-18-29(19-17-28)26(14-6-3-7-15-26)21-27-25(30)23-10-12-24(13-11-23)31-20-22-8-4-2-5-9-22;29-26(23-11-13-25(14-12-23)30-20-22-9-5-2-6-10-22)27-24-15-17-28(18-16-24)19-21-7-3-1-4-8-21;1-27(2)22(12-14-23(24,25)15-13-22)17-26-21(28)19-8-10-20(11-9-19)29-16-18-6-4-3-5-7-18;1-24(2)22(12-14-26-15-13-22)17-23-21(25)19-8-10-20(11-9-19)27-16-18-6-4-3-5-7-18;1-4-5-14-26-17-8-6-16(7-9-17)18(25)23-15-19(24(2)3)10-12-20(21,22)13-11-19;1-4-5-12-24-17-8-6-16(7-9-17)18(22)20-15-19(21(2)3)10-13-23-14-11-19/h2,4-5,8-13H,3,6-7,14-21H2,1H3,(H,27,30);1-14,24H,15-20H2,(H,27,29);3-11H,12-17H2,1-2H3,(H,26,28);3-11H,12-17H2,1-2H3,(H,23,25);6-9H,4-5,10-15H2,1-3H3,(H,23,25);6-9H,4-5,10-15H2,1-3H3,(H,20,22)
InChIKeyBXPVAOSXPYEVFJ-UHFFFAOYSA-N
XLogP23.03
TPSA271.12 Ų
H-Bond Donors6
H-Bond Acceptors21
Rotatable Bonds44
Heavy Atoms167
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002296.00
LogP ≤ 523.03
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(1-benzylpiperidin-4-yl)-4-phenylmethoxybenzamide;4-butoxy-N-[[1-(dimethylamino)-4,4-difluorocyclohexyl]methyl]benzamide;4-butoxy-N-[[4-(dimethylamino)oxan-4-yl]methyl]benzamide;N-[[1-(dimethylamino)-4,4-difluorocyclohexyl]methyl]-4-phenylmethoxybenzamide;N-[[4-(dimethylamino)oxan-4-yl]methyl]-4-phenylmethoxybenzamide;N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-4-phenylmethoxybenzamide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-4-phenylmethoxybenzamide;4-butoxy-N-[[1-(dimethylamino)-4,4-difluorocyclohexyl]methyl]benzamide;4-butoxy-N-[[4-(dimethylamino)oxan-4-yl]methyl]benzamide;N-[[1-(dimethylamino)-4,4-difluorocyclohexyl]methyl]-4-phenylmethoxybenzamide;N-[[4-(dimethylamino)oxan-4-yl]methyl]-4-phenylmethoxybenzamide;N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-4-phenylmethoxybenzamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-4-phenylmethoxybenzamide;4-butoxy-N-[[1-(dimethylamino)-4,4-difluorocyclohexyl]methyl]benzamide;4-butoxy-N-[[4-(dimethylamino)oxan-4-yl]methyl]benzamide;N-[[1-(dimethylamino)-4,4-difluorocyclohexyl]methyl]-4-phenylmethoxybenzamide;N-[[4-(dimethylamino)oxan-4-yl]methyl]-4-phenylmethoxybenzamide;N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-4-phenylmethoxybenzamide (CID 157494132) is N-(1-benzylpiperidin-4-yl)-4-phenylmethoxybenzamide;4-butoxy-N-[[1-(dimethylamino)-4,4-difluorocyclohexyl]methyl]benzamide;4-butoxy-N-[[4-(dimethylamino)oxan-4-yl]methyl]benzamide;N-[[1-(dimethylamino)-4,4-difluorocyclohexyl]methyl]-4-phenylmethoxybenzamide;N-[[4-(dimethylamino)oxan-4-yl]methyl]-4-phenylmethoxybenzamide;N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-4-phenylmethoxybenzamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-4-phenylmethoxybenzamide;4-butoxy-N-[[1-(dimethylamino)-4,4-difluorocyclohexyl]methyl]benzamide;4-butoxy-N-[[4-(dimethylamino)oxan-4-yl]methyl]benzamide;N-[[1-(dimethylamino)-4,4-difluorocyclohexyl]methyl]-4-phenylmethoxybenzamide;N-[[4-(dimethylamino)oxan-4-yl]methyl]-4-phenylmethoxybenzamide;N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-4-phenylmethoxybenzamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-4-phenylmethoxybenzamide;4-butoxy-N-[[1-(dimethylamino)-4,4-difluorocyclohexyl]methyl]benzamide;4-butoxy-N-[[4-(dimethylamino)oxan-4-yl]methyl]benzamide;N-[[1-(dimethylamino)-4,4-difluorocyclohexyl]methyl]-4-phenylmethoxybenzamide;N-[[4-(dimethylamino)oxan-4-yl]methyl]-4-phenylmethoxybenzamide;N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-4-phenylmethoxybenzamide is CCCCOc1ccc(C(=O)NCC2(N(C)C)CCC(F)(F)CC2)cc1.CCCCOc1ccc(C(=O)NCC2(N(C)C)CCOCC2)cc1.CN(C)C1(CNC(=O)c2ccc(OCc3ccccc3)cc2)CCC(F)(F)CC1.CN(C)C1(CNC(=O)c2ccc(OCc3ccccc3)cc2)CCOCC1.CN1CCN(C2(CNC(=O)c3ccc(OCc4ccccc4)cc3)CCCCC2)CC1.O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-4-phenylmethoxybenzamide;4-butoxy-N-[[1-(dimethylamino)-4,4-difluorocyclohexyl]methyl]benzamide;4-butoxy-N-[[4-(dimethylamino)oxan-4-yl]methyl]benzamide;N-[[1-(dimethylamino)-4,4-difluorocyclohexyl]methyl]-4-phenylmethoxybenzamide;N-[[4-(dimethylamino)oxan-4-yl]methyl]-4-phenylmethoxybenzamide;N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-4-phenylmethoxybenzamide?
The InChIKey is BXPVAOSXPYEVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O2.C26H28N2O2.C23H28F2N2O2.C22H28N2O3.C20H30F2N2O2.C19H30N2O3/c1-28-16-18-29(19-17-28)26(14-6-3-7-15-26)21-27-25(30)23-10-12-24(13-11-23)31-20-22-8-4-2-5-9-22;29-26(23-11-13-25(14-12-23)30-20-22-9-5-2-6-10-22)27-24-15-17-28(18-16-24)19-21-7-3-1-4-8-21;1-27(2)22(12-14-23(24,25)15-13-22)17-26-21(28)19-8-10-20(11-9-19)29-16-18-6-4-3-5-7-18;1-24(2)22(12-14-26-15-13-22)17-23-21(25)19-8-10-20(11-9-19)27-16-18-6-4-3-5-7-18;1-4-5-14-26-17-8-6-16(7-9-17)18(25)23-15-19(24(2)3)10-12-20(21,22)13-11-19;1-4-5-12-24-17-8-6-16(7-9-17)18(22)20-15-19(21(2)3)10-13-23-14-11-19/h2,4-5,8-13H,3,6-7,14-21H2,1H3,(H,27,30);1-14,24H,15-20H2,(H,27,29);3-11H,12-17H2,1-2H3,(H,26,28);3-11H,12-17H2,1-2H3,(H,23,25);6-9H,4-5,10-15H2,1-3H3,(H,23,25);6-9H,4-5,10-15H2,1-3H3,(H,20,22).
What are the key properties of N-(1-benzylpiperidin-4-yl)-4-phenylmethoxybenzamide;4-butoxy-N-[[1-(dimethylamino)-4,4-difluorocyclohexyl]methyl]benzamide;4-butoxy-N-[[4-(dimethylamino)oxan-4-yl]methyl]benzamide;N-[[1-(dimethylamino)-4,4-difluorocyclohexyl]methyl]-4-phenylmethoxybenzamide;N-[[4-(dimethylamino)oxan-4-yl]methyl]-4-phenylmethoxybenzamide;N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-4-phenylmethoxybenzamide?
N-(1-benzylpiperidin-4-yl)-4-phenylmethoxybenzamide;4-butoxy-N-[[1-(dimethylamino)-4,4-difluorocyclohexyl]methyl]benzamide;4-butoxy-N-[[4-(dimethylamino)oxan-4-yl]methyl]benzamide;N-[[1-(dimethylamino)-4,4-difluorocyclohexyl]methyl]-4-phenylmethoxybenzamide;N-[[4-(dimethylamino)oxan-4-yl]methyl]-4-phenylmethoxybenzamide;N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-4-phenylmethoxybenzamide has a molecular weight of 2296.00 g/mol, XLogP of 23.03, 44 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-4-phenylmethoxybenzamide;4-butoxy-N-[[1-(dimethylamino)-4,4-difluorocyclohexyl]methyl]benzamide;4-butoxy-N-[[4-(dimethylamino)oxan-4-yl]methyl]benzamide;N-[[1-(dimethylamino)-4,4-difluorocyclohexyl]methyl]-4-phenylmethoxybenzamide;N-[[4-(dimethylamino)oxan-4-yl]methyl]-4-phenylmethoxybenzamide;N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-4-phenylmethoxybenzamide is sourced from PubChem (CID 157494132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).