N-(1-benzylpiperidin-4-yl)-4-hexyl-N-[(4-thiophen-2-ylphenyl)methyl]benzamide;N-(1-benzylpiperidin-4-yl)-4-pentyl-N-[(4-pyrimidin-5-ylphenyl)methyl]benzamide;N-(1-benzylpiperidin-4-yl)-4-pentyl-N-[(4-thiophen-2-ylphenyl)methyl]benzamide

C106H122N8O3S2 — CID 159157699

IUPACN-(1-benzylpiperidin-4-yl)-4-hexyl-N-[(4-thiophen-2-ylphenyl)methyl]benzamide;N-(1-benzylpiperidin-4-yl)-4-pentyl-N-[(4-pyrimidin-5-ylphenyl)methyl]benzamide;N-(1-benzylpiperidin-4-yl)-4-pentyl-N-[(4-thiophen-2-ylphenyl)methyl]benzamide
SMILESCCCCCCc1ccc(C(=O)N(Cc2ccc(-c3cccs3)cc2)C2CCN(Cc3ccccc3)CC2)cc1.CCCCCc1ccc(C(=O)N(Cc2ccc(-c3cccs3)cc2)C2CCN(Cc3ccccc3)CC2)cc1.CCCCCc1ccc(C(=O)N(Cc2ccc(-c3cncnc3)cc2)C2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C36H42N2OS.C35H40N4O.C35H40N2OS/c1-2-3-4-6-10-29-14-20-33(21-15-29)36(39)38(28-31-16-18-32(19-17-31)35-13-9-26-40-35)34-22-24-37(25-23-34)27-30-11-7-5-8-12-30;1-2-3-5-8-28-11-17-32(18-12-28)35(40)39(26-30-13-15-31(16-14-30)33-23-36-27-37-24-33)34-19-21-38(22-20-34)25-29-9-6-4-7-10-29;1-2-3-5-9-28-13-19-32(20-14-28)35(38)37(27-30-15-17-31(18-16-30)34-12-8-25-39-34)33-21-23-36(24-22-33)26-29-10-6-4-7-11-29/h5,7-9,11-21,26,34H,2-4,6,10,22-25,27-28H2,1H3;4,6-7,9-18,23-24,27,34H,2-3,5,8,19-22,25-26H2,1H3;4,6-8,10-20,25,33H,2-3,5,9,21-24,26-27H2,1H3
InChIKeyKKCDXUWXFXPONI-UHFFFAOYSA-N
MW1620.33 g/mol
LogP24.48
Rot. Bonds34

About N-(1-benzylpiperidin-4-yl)-4-hexyl-N-[(4-thiophen-2-ylphenyl)methyl]benzamide;N-(1-benzylpiperidin-4-yl)-4-pentyl-N-[(4-pyrimidin-5-ylphenyl)methyl]benzamide;N-(1-benzylpiperidin-4-yl)-4-pentyl-N-[(4-thiophen-2-ylphenyl)methyl]benzamide

N-(1-benzylpiperidin-4-yl)-4-hexyl-N-[(4-thiophen-2-ylphenyl)methyl]benzamide;N-(1-benzylpiperidin-4-yl)-4-pentyl-N-[(4-pyrimidin-5-ylphenyl)methyl]benzamide;N-(1-benzylpiperidin-4-yl)-4-pentyl-N-[(4-thiophen-2-ylphenyl)methyl]benzamide (PubChem CID 159157699) has the molecular formula C106H122N8O3S2 and a molecular weight of 1620.33 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-4-hexyl-N-[(4-thiophen-2-ylphenyl)methyl]benzamide;N-(1-benzylpiperidin-4-yl)-4-pentyl-N-[(4-pyrimidin-5-ylphenyl)methyl]benzamide;N-(1-benzylpiperidin-4-yl)-4-pentyl-N-[(4-thiophen-2-ylphenyl)methyl]benzamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-4-hexyl-N-[(4-thiophen-2-ylphenyl)methyl]benzamide;N-(1-benzylpiperidin-4-yl)-4-pentyl-N-[(4-pyrimidin-5-ylphenyl)methyl]benzamide;N-(1-benzylpiperidin-4-yl)-4-pentyl-N-[(4-thiophen-2-ylphenyl)methyl]benzamide
PubChem CID159157699
Molecular FormulaC106H122N8O3S2
Molecular Weight1620.33 g/mol
Exact Mass1618.91
IUPAC NameN-(1-benzylpiperidin-4-yl)-4-hexyl-N-[(4-thiophen-2-ylphenyl)methyl]benzamide;N-(1-benzylpiperidin-4-yl)-4-pentyl-N-[(4-pyrimidin-5-ylphenyl)methyl]benzamide;N-(1-benzylpiperidin-4-yl)-4-pentyl-N-[(4-thiophen-2-ylphenyl)methyl]benzamide
SMILESCCCCCCc1ccc(C(=O)N(Cc2ccc(-c3cccs3)cc2)C2CCN(Cc3ccccc3)CC2)cc1.CCCCCc1ccc(C(=O)N(Cc2ccc(-c3cccs3)cc2)C2CCN(Cc3ccccc3)CC2)cc1.CCCCCc1ccc(C(=O)N(Cc2ccc(-c3cncnc3)cc2)C2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C36H42N2OS.C35H40N4O.C35H40N2OS/c1-2-3-4-6-10-29-14-20-33(21-15-29)36(39)38(28-31-16-18-32(19-17-31)35-13-9-26-40-35)34-22-24-37(25-23-34)27-30-11-7-5-8-12-30;1-2-3-5-8-28-11-17-32(18-12-28)35(40)39(26-30-13-15-31(16-14-30)33-23-36-27-37-24-33)34-19-21-38(22-20-34)25-29-9-6-4-7-10-29;1-2-3-5-9-28-13-19-32(20-14-28)35(38)37(27-30-15-17-31(18-16-30)34-12-8-25-39-34)33-21-23-36(24-22-33)26-29-10-6-4-7-11-29/h5,7-9,11-21,26,34H,2-4,6,10,22-25,27-28H2,1H3;4,6-7,9-18,23-24,27,34H,2-3,5,8,19-22,25-26H2,1H3;4,6-8,10-20,25,33H,2-3,5,9,21-24,26-27H2,1H3
InChIKeyKKCDXUWXFXPONI-UHFFFAOYSA-N
XLogP24.48
TPSA96.43 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds34
Heavy Atoms119
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001620.33
LogP ≤ 524.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze N-(1-benzylpiperidin-4-yl)-4-hexyl-N-[(4-thiophen-2-ylphenyl)methyl]benzamide;N-(1-benzylpiperidin-4-yl)-4-pentyl-N-[(4-pyrimidin-5-ylphenyl)methyl]benzamide;N-(1-benzylpiperidin-4-yl)-4-pentyl-N-[(4-thiophen-2-ylphenyl)methyl]benzamide with MolForge

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Related Compounds

[4-(4-Methylthiophen-2-yl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 118708989
[4-(5-Methylthiophen-2-yl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 118708990
CID 134800851
CID 134800851
1-(4-pyrimidin-5-ylbenzoyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 134802882
3-pyrimidin-5-yl-N-[1-(2-thienylmethyl)piperidin-4-yl]benzamide
CID 118771806
2-(3-Fluorophenyl)-6-methyl-3-(2-phenylethyl)-5-(4-pyrimidin-5-ylthiophen-2-yl)pyrimidin-4-one
CID 143971442
N-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(5-isocyano-2-pyridinyl)piperidin-4-yl]-N-phenylpropanamide;N-[1-(5-methyl-4-phenylthiophene-2-carbonyl)piperidin-4-yl]-N-phenylpropanamide;N-phenyl-N-(1-pyridin-2-ylpiperidin-4-yl)propanamide;N-phenyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide;N-phenyl-N-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propanamide
CID 158910888
(3-Fluorophenyl)-[4-(5-pyridin-4-yl-4-thiophen-2-ylpyrimidin-2-yl)piperazin-1-yl]methanone
CID 92433058
N-methyl-N-(2-phenyl-1-{1-[(2-pyrimidinylthio)acetyl]-4-piperidinyl}ethyl)-2-thiophenecarboxamide
CID 45185443
2,5-Bis[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]thieno[3,2-c]pyridin-4-one
CID 67938840
(4-Phenylthiophen-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 68701618
2,6-dimethyl-N-[3-[4-[[pyrimidin-5-yl(thiophen-3-yl)methyl]amino]piperidin-1-yl]butyl]benzamide
CID 68972841

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-4-hexyl-N-[(4-thiophen-2-ylphenyl)methyl]benzamide;N-(1-benzylpiperidin-4-yl)-4-pentyl-N-[(4-pyrimidin-5-ylphenyl)methyl]benzamide;N-(1-benzylpiperidin-4-yl)-4-pentyl-N-[(4-thiophen-2-ylphenyl)methyl]benzamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-4-hexyl-N-[(4-thiophen-2-ylphenyl)methyl]benzamide;N-(1-benzylpiperidin-4-yl)-4-pentyl-N-[(4-pyrimidin-5-ylphenyl)methyl]benzamide;N-(1-benzylpiperidin-4-yl)-4-pentyl-N-[(4-thiophen-2-ylphenyl)methyl]benzamide (CID 159157699) is N-(1-benzylpiperidin-4-yl)-4-hexyl-N-[(4-thiophen-2-ylphenyl)methyl]benzamide;N-(1-benzylpiperidin-4-yl)-4-pentyl-N-[(4-pyrimidin-5-ylphenyl)methyl]benzamide;N-(1-benzylpiperidin-4-yl)-4-pentyl-N-[(4-thiophen-2-ylphenyl)methyl]benzamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-4-hexyl-N-[(4-thiophen-2-ylphenyl)methyl]benzamide;N-(1-benzylpiperidin-4-yl)-4-pentyl-N-[(4-pyrimidin-5-ylphenyl)methyl]benzamide;N-(1-benzylpiperidin-4-yl)-4-pentyl-N-[(4-thiophen-2-ylphenyl)methyl]benzamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-4-hexyl-N-[(4-thiophen-2-ylphenyl)methyl]benzamide;N-(1-benzylpiperidin-4-yl)-4-pentyl-N-[(4-pyrimidin-5-ylphenyl)methyl]benzamide;N-(1-benzylpiperidin-4-yl)-4-pentyl-N-[(4-thiophen-2-ylphenyl)methyl]benzamide is CCCCCCc1ccc(C(=O)N(Cc2ccc(-c3cccs3)cc2)C2CCN(Cc3ccccc3)CC2)cc1.CCCCCc1ccc(C(=O)N(Cc2ccc(-c3cccs3)cc2)C2CCN(Cc3ccccc3)CC2)cc1.CCCCCc1ccc(C(=O)N(Cc2ccc(-c3cncnc3)cc2)C2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-4-hexyl-N-[(4-thiophen-2-ylphenyl)methyl]benzamide;N-(1-benzylpiperidin-4-yl)-4-pentyl-N-[(4-pyrimidin-5-ylphenyl)methyl]benzamide;N-(1-benzylpiperidin-4-yl)-4-pentyl-N-[(4-thiophen-2-ylphenyl)methyl]benzamide?
The InChIKey is KKCDXUWXFXPONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H42N2OS.C35H40N4O.C35H40N2OS/c1-2-3-4-6-10-29-14-20-33(21-15-29)36(39)38(28-31-16-18-32(19-17-31)35-13-9-26-40-35)34-22-24-37(25-23-34)27-30-11-7-5-8-12-30;1-2-3-5-8-28-11-17-32(18-12-28)35(40)39(26-30-13-15-31(16-14-30)33-23-36-27-37-24-33)34-19-21-38(22-20-34)25-29-9-6-4-7-10-29;1-2-3-5-9-28-13-19-32(20-14-28)35(38)37(27-30-15-17-31(18-16-30)34-12-8-25-39-34)33-21-23-36(24-22-33)26-29-10-6-4-7-11-29/h5,7-9,11-21,26,34H,2-4,6,10,22-25,27-28H2,1H3;4,6-7,9-18,23-24,27,34H,2-3,5,8,19-22,25-26H2,1H3;4,6-8,10-20,25,33H,2-3,5,9,21-24,26-27H2,1H3.
What are the key properties of N-(1-benzylpiperidin-4-yl)-4-hexyl-N-[(4-thiophen-2-ylphenyl)methyl]benzamide;N-(1-benzylpiperidin-4-yl)-4-pentyl-N-[(4-pyrimidin-5-ylphenyl)methyl]benzamide;N-(1-benzylpiperidin-4-yl)-4-pentyl-N-[(4-thiophen-2-ylphenyl)methyl]benzamide?
N-(1-benzylpiperidin-4-yl)-4-hexyl-N-[(4-thiophen-2-ylphenyl)methyl]benzamide;N-(1-benzylpiperidin-4-yl)-4-pentyl-N-[(4-pyrimidin-5-ylphenyl)methyl]benzamide;N-(1-benzylpiperidin-4-yl)-4-pentyl-N-[(4-thiophen-2-ylphenyl)methyl]benzamide has a molecular weight of 1620.33 g/mol, XLogP of 24.48, 34 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-4-hexyl-N-[(4-thiophen-2-ylphenyl)methyl]benzamide;N-(1-benzylpiperidin-4-yl)-4-pentyl-N-[(4-pyrimidin-5-ylphenyl)methyl]benzamide;N-(1-benzylpiperidin-4-yl)-4-pentyl-N-[(4-thiophen-2-ylphenyl)methyl]benzamide is sourced from PubChem (CID 159157699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).