N,N-diethyl-4-(N-[(4S)-3-methyl-1-prop-2-enylpiperidin-4-yl]anilino)benzamide;4-[(R)-[(2S)-2,5-dimethyl-4-prop-2-enylpiperazin-1-yl]-(3-methoxyphenyl)methyl]-N,N-diethylbenzamide;N-[(3R,4S)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide

C77H104N8O4 — CID 160999722

IUPACN,N-diethyl-4-(N-[(4S)-3-methyl-1-prop-2-enylpiperidin-4-yl]anilino)benzamide;4-[(R)-[(2S)-2,5-dimethyl-4-prop-2-enylpiperazin-1-yl]-(3-methoxyphenyl)methyl]-N,N-diethylbenzamide;N-[(3R,4S)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide
SMILESC=CCN1CC[C@H](N(c2ccccc2)c2ccc(C(=O)N(CC)CC)cc2)C(C)C1.C=CCN1C[C@H](C)N([C@H](c2ccc(C(=O)N(CC)CC)cc2)c2cccc(OC)c2)CC1C.CCC(=O)N(c1ccccc1)[C@H]1CCN(CCc2ccccc2)C[C@H]1C
InChIInChI=1S/C28H39N3O2.C26H35N3O.C23H30N2O/c1-7-17-30-19-22(5)31(20-21(30)4)27(25-11-10-12-26(18-25)33-6)23-13-15-24(16-14-23)28(32)29(8-2)9-3;1-5-18-27-19-17-25(21(4)20-27)29(23-11-9-8-10-12-23)24-15-13-22(14-16-24)26(30)28(6-2)7-3;1-3-23(26)25(21-12-8-5-9-13-21)22-15-17-24(18-19(22)2)16-14-20-10-6-4-7-11-20/h7,10-16,18,21-22,27H,1,8-9,17,19-20H2,2-6H3;5,8-16,21,25H,1,6-7,17-20H2,2-4H3;4-13,19,22H,3,14-18H2,1-2H3/t21?,22-,27+;21?,25-;19-,22+/m001/s1
InChIKeyTVRZTCMNWOPEFI-BFLURIFHSA-N
MW1205.73 g/mol
LogP14.43
Rot. Bonds23

About N,N-diethyl-4-(N-[(4S)-3-methyl-1-prop-2-enylpiperidin-4-yl]anilino)benzamide;4-[(R)-[(2S)-2,5-dimethyl-4-prop-2-enylpiperazin-1-yl]-(3-methoxyphenyl)methyl]-N,N-diethylbenzamide;N-[(3R,4S)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide

N,N-diethyl-4-(N-[(4S)-3-methyl-1-prop-2-enylpiperidin-4-yl]anilino)benzamide;4-[(R)-[(2S)-2,5-dimethyl-4-prop-2-enylpiperazin-1-yl]-(3-methoxyphenyl)methyl]-N,N-diethylbenzamide;N-[(3R,4S)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide (PubChem CID 160999722) has the molecular formula C77H104N8O4 and a molecular weight of 1205.73 g/mol. Its IUPAC name is N,N-diethyl-4-(N-[(4S)-3-methyl-1-prop-2-enylpiperidin-4-yl]anilino)benzamide;4-[(R)-[(2S)-2,5-dimethyl-4-prop-2-enylpiperazin-1-yl]-(3-methoxyphenyl)methyl]-N,N-diethylbenzamide;N-[(3R,4S)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide.

Molecular Properties

Compound NameN,N-diethyl-4-(N-[(4S)-3-methyl-1-prop-2-enylpiperidin-4-yl]anilino)benzamide;4-[(R)-[(2S)-2,5-dimethyl-4-prop-2-enylpiperazin-1-yl]-(3-methoxyphenyl)methyl]-N,N-diethylbenzamide;N-[(3R,4S)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide
PubChem CID160999722
Molecular FormulaC77H104N8O4
Molecular Weight1205.73 g/mol
Exact Mass1204.82
IUPAC NameN,N-diethyl-4-(N-[(4S)-3-methyl-1-prop-2-enylpiperidin-4-yl]anilino)benzamide;4-[(R)-[(2S)-2,5-dimethyl-4-prop-2-enylpiperazin-1-yl]-(3-methoxyphenyl)methyl]-N,N-diethylbenzamide;N-[(3R,4S)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide
SMILESC=CCN1CC[C@H](N(c2ccccc2)c2ccc(C(=O)N(CC)CC)cc2)C(C)C1.C=CCN1C[C@H](C)N([C@H](c2ccc(C(=O)N(CC)CC)cc2)c2cccc(OC)c2)CC1C.CCC(=O)N(c1ccccc1)[C@H]1CCN(CCc2ccccc2)C[C@H]1C
InChIInChI=1S/C28H39N3O2.C26H35N3O.C23H30N2O/c1-7-17-30-19-22(5)31(20-21(30)4)27(25-11-10-12-26(18-25)33-6)23-13-15-24(16-14-23)28(32)29(8-2)9-3;1-5-18-27-19-17-25(21(4)20-27)29(23-11-9-8-10-12-23)24-15-13-22(14-16-24)26(30)28(6-2)7-3;1-3-23(26)25(21-12-8-5-9-13-21)22-15-17-24(18-19(22)2)16-14-20-10-6-4-7-11-20/h7,10-16,18,21-22,27H,1,8-9,17,19-20H2,2-6H3;5,8-16,21,25H,1,6-7,17-20H2,2-4H3;4-13,19,22H,3,14-18H2,1-2H3/t21?,22-,27+;21?,25-;19-,22+/m001/s1
InChIKeyTVRZTCMNWOPEFI-BFLURIFHSA-N
XLogP14.43
TPSA86.36 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds23
Heavy Atoms89
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001205.73
LogP ≤ 514.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-4-(3-methoxy-N-[(3R,4R)-3-methyl-1-prop-2-enylpiperidin-4-yl]anilino)benzamide
CID 10717752
4-[(S)-[(2R,5S)-4-benzyl-2,5-dimethylpiperazin-1-yl]-(3-methoxyphenyl)methyl]-N,N-diethylbenzamide
CID 10720177
4-[(R)-[(2S,5R)-2,5-dimethyl-4-(2-methylprop-2-enyl)piperazin-1-yl]-(3-methoxyphenyl)methyl]-N,N-diethylbenzamide
CID 10813958
[3-[[4-(diethylcarbamoyl)phenyl]-(2,5-dimethyl-4-prop-2-enylpiperazin-1-yl)methyl]phenyl] 2,2-dimethylpropanoate
CID 67791631
4-[(S)-[(2S,5R)-4-benzyl-2,5-dimethylpiperazin-1-yl]-(3-hydroxyphenyl)methyl]-N,N-diethylbenzamide;4-[(S)-[(2S,5R)-2,5-dimethyl-4-prop-2-enylpiperazin-1-yl]-(3-hydroxyphenyl)methyl]-N,N-diethylbenzamide
CID 160571913
N,N-diethyl-4-(3-hydroxy-N-[(3R,4S)-3-methyl-1-prop-2-enylpiperidin-4-yl]anilino)benzamide
CID 101103653
[3-[(R)-[3-(diethylcarbamoyl)phenyl]-[(2S,5R)-2,5-dimethyl-4-prop-2-enylpiperazin-1-yl]methyl]phenyl] trifluoromethanesulfonate
CID 87694085
4-(N-[(2S,4S,5R)-2,5-dimethyl-1-prop-2-enylpiperidin-4-yl]anilino)-N,N-diethylbenzamide
CID 101103649
4-(N-[(2S,4R,5R)-2,5-dimethyl-1-prop-2-enylpiperidin-4-yl]anilino)-N,N-diethylbenzamide
CID 101103650
4-(N-[(2R,4S,5S)-2,5-dimethyl-1-prop-2-enylpiperidin-4-yl]anilino)-N,N-diethylbenzamide
CID 10716975
4-(N-[(2R,4S,5R)-2,5-dimethyl-1-prop-2-enylpiperidin-4-yl]anilino)-N,N-diethylbenzamide
CID 101103658
N,N-diethyl-4-[(3-methoxyphenyl)-(10-prop-2-enyl-3,10-diazabicyclo[4.3.1]decan-3-yl)methyl]benzamide
CID 58313276

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-(N-[(4S)-3-methyl-1-prop-2-enylpiperidin-4-yl]anilino)benzamide;4-[(R)-[(2S)-2,5-dimethyl-4-prop-2-enylpiperazin-1-yl]-(3-methoxyphenyl)methyl]-N,N-diethylbenzamide;N-[(3R,4S)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide?
The IUPAC name of N,N-diethyl-4-(N-[(4S)-3-methyl-1-prop-2-enylpiperidin-4-yl]anilino)benzamide;4-[(R)-[(2S)-2,5-dimethyl-4-prop-2-enylpiperazin-1-yl]-(3-methoxyphenyl)methyl]-N,N-diethylbenzamide;N-[(3R,4S)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide (CID 160999722) is N,N-diethyl-4-(N-[(4S)-3-methyl-1-prop-2-enylpiperidin-4-yl]anilino)benzamide;4-[(R)-[(2S)-2,5-dimethyl-4-prop-2-enylpiperazin-1-yl]-(3-methoxyphenyl)methyl]-N,N-diethylbenzamide;N-[(3R,4S)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide.
What is the SMILES notation for N,N-diethyl-4-(N-[(4S)-3-methyl-1-prop-2-enylpiperidin-4-yl]anilino)benzamide;4-[(R)-[(2S)-2,5-dimethyl-4-prop-2-enylpiperazin-1-yl]-(3-methoxyphenyl)methyl]-N,N-diethylbenzamide;N-[(3R,4S)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide?
The canonical SMILES for N,N-diethyl-4-(N-[(4S)-3-methyl-1-prop-2-enylpiperidin-4-yl]anilino)benzamide;4-[(R)-[(2S)-2,5-dimethyl-4-prop-2-enylpiperazin-1-yl]-(3-methoxyphenyl)methyl]-N,N-diethylbenzamide;N-[(3R,4S)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide is C=CCN1CC[C@H](N(c2ccccc2)c2ccc(C(=O)N(CC)CC)cc2)C(C)C1.C=CCN1C[C@H](C)N([C@H](c2ccc(C(=O)N(CC)CC)cc2)c2cccc(OC)c2)CC1C.CCC(=O)N(c1ccccc1)[C@H]1CCN(CCc2ccccc2)C[C@H]1C.
What is the InChIKey of N,N-diethyl-4-(N-[(4S)-3-methyl-1-prop-2-enylpiperidin-4-yl]anilino)benzamide;4-[(R)-[(2S)-2,5-dimethyl-4-prop-2-enylpiperazin-1-yl]-(3-methoxyphenyl)methyl]-N,N-diethylbenzamide;N-[(3R,4S)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide?
The InChIKey is TVRZTCMNWOPEFI-BFLURIFHSA-N. The full InChI is InChI=1S/C28H39N3O2.C26H35N3O.C23H30N2O/c1-7-17-30-19-22(5)31(20-21(30)4)27(25-11-10-12-26(18-25)33-6)23-13-15-24(16-14-23)28(32)29(8-2)9-3;1-5-18-27-19-17-25(21(4)20-27)29(23-11-9-8-10-12-23)24-15-13-22(14-16-24)26(30)28(6-2)7-3;1-3-23(26)25(21-12-8-5-9-13-21)22-15-17-24(18-19(22)2)16-14-20-10-6-4-7-11-20/h7,10-16,18,21-22,27H,1,8-9,17,19-20H2,2-6H3;5,8-16,21,25H,1,6-7,17-20H2,2-4H3;4-13,19,22H,3,14-18H2,1-2H3/t21?,22-,27+;21?,25-;19-,22+/m001/s1.
What are the key properties of N,N-diethyl-4-(N-[(4S)-3-methyl-1-prop-2-enylpiperidin-4-yl]anilino)benzamide;4-[(R)-[(2S)-2,5-dimethyl-4-prop-2-enylpiperazin-1-yl]-(3-methoxyphenyl)methyl]-N,N-diethylbenzamide;N-[(3R,4S)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide?
N,N-diethyl-4-(N-[(4S)-3-methyl-1-prop-2-enylpiperidin-4-yl]anilino)benzamide;4-[(R)-[(2S)-2,5-dimethyl-4-prop-2-enylpiperazin-1-yl]-(3-methoxyphenyl)methyl]-N,N-diethylbenzamide;N-[(3R,4S)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide has a molecular weight of 1205.73 g/mol, XLogP of 14.43, 23 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-(N-[(4S)-3-methyl-1-prop-2-enylpiperidin-4-yl]anilino)benzamide;4-[(R)-[(2S)-2,5-dimethyl-4-prop-2-enylpiperazin-1-yl]-(3-methoxyphenyl)methyl]-N,N-diethylbenzamide;N-[(3R,4S)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide is sourced from PubChem (CID 160999722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).