(3R,4S,5S)-N-cyclopropyl-N-[(2,3-dichlorophenyl)methyl]-5-methyl-4-(3-phenylphenyl)piperidine-3-carboxamide

C29H30Cl2N2O — CID 59375287

IUPAC(3R,4S,5S)-N-cyclopropyl-N-[(2,3-dichlorophenyl)methyl]-5-methyl-4-(3-phenylphenyl)piperidine-3-carboxamide
SMILESC[C@@H]1CNC[C@H](C(=O)N(Cc2cccc(Cl)c2Cl)C2CC2)[C@H]1c1cccc(-c2ccccc2)c1
InChIInChI=1S/C29H30Cl2N2O/c1-19-16-32-17-25(27(19)22-10-5-9-21(15-22)20-7-3-2-4-8-20)29(34)33(24-13-14-24)18-23-11-6-12-26(30)28(23)31/h2-12,15,19,24-25,27,32H,13-14,16-18H2,1H3/t19-,25+,27-/m1/s1
InChIKeyUEJVAKKOXBNNRP-WMTVXVAQSA-N
MW493.48 g/mol
LogP6.79
Rot. Bonds6

About (3R,4S,5S)-N-cyclopropyl-N-[(2,3-dichlorophenyl)methyl]-5-methyl-4-(3-phenylphenyl)piperidine-3-carboxamide

(3R,4S,5S)-N-cyclopropyl-N-[(2,3-dichlorophenyl)methyl]-5-methyl-4-(3-phenylphenyl)piperidine-3-carboxamide (PubChem CID 59375287) has the molecular formula C29H30Cl2N2O and a molecular weight of 493.48 g/mol. Its IUPAC name is (3R,4S,5S)-N-cyclopropyl-N-[(2,3-dichlorophenyl)methyl]-5-methyl-4-(3-phenylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R,4S,5S)-N-cyclopropyl-N-[(2,3-dichlorophenyl)methyl]-5-methyl-4-(3-phenylphenyl)piperidine-3-carboxamide
PubChem CID59375287
Molecular FormulaC29H30Cl2N2O
Molecular Weight493.48 g/mol
Exact Mass492.17
IUPAC Name(3R,4S,5S)-N-cyclopropyl-N-[(2,3-dichlorophenyl)methyl]-5-methyl-4-(3-phenylphenyl)piperidine-3-carboxamide
SMILESC[C@@H]1CNC[C@H](C(=O)N(Cc2cccc(Cl)c2Cl)C2CC2)[C@H]1c1cccc(-c2ccccc2)c1
InChIInChI=1S/C29H30Cl2N2O/c1-19-16-32-17-25(27(19)22-10-5-9-21(15-22)20-7-3-2-4-8-20)29(34)33(24-13-14-24)18-23-11-6-12-26(30)28(23)31/h2-12,15,19,24-25,27,32H,13-14,16-18H2,1H3/t19-,25+,27-/m1/s1
InChIKeyUEJVAKKOXBNNRP-WMTVXVAQSA-N
XLogP6.79
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.48
LogP ≤ 56.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3R,4S,5S)-N-cyclopropyl-N-[(2,3-dichlorophenyl)methyl]-5-methyl-4-(3-phenylphenyl)piperidine-3-carboxamide with MolForge

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Related Compounds

(3R,4S,5S)-N-cyclopropyl-N-[(2,3-dichlorophenyl)methyl]-5-hydroxy-4-(3-phenylphenyl)piperidine-3-carboxamide
CID 11562321
(3R,4S,5R)-N-cyclopropyl-N-[(2,3-dimethylphenyl)methyl]-5-(hydroxymethyl)-4-(3-phenylphenyl)piperidine-3-carboxamide
CID 11847655
N-cyclopropyl-N-[(2,3-dichlorophenyl)methyl]-4-(3-ethyl-5-phenylphenyl)-1,2,3,6-tetrahydropyridine-5-carboxamide
CID 59177398
N-cyclopropyl-N-[(2,3-dichlorophenyl)methyl]propanamide
CID 69301683
N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-4-methylpyrrolidine-3-carboxamide
CID 63715633
(3R,4S)-N-cyclopropyl-N-[(2,3-dichlorophenyl)methyl]-4-[3-[(3,5-dimethoxyphenyl)methoxy]phenyl]piperidine-3-carboxamide
CID 58005759
(3R,4S)-N-cyclopropyl-N-[(2,3-dimethylphenyl)methyl]-4-(3-pyridin-4-ylphenyl)piperidine-3-carboxamide
CID 11611918
2-[(3S,4S,5R)-5-[cyclopropyl-[[3-methoxy-5-(3-methoxypropoxy)phenyl]methyl]carbamoyl]-4-(3-phenylphenyl)piperidin-3-yl]oxyacetic acid
CID 11848056
ethyl 2-[3-[[cyclopropyl-[(3R,4S)-4-(3-phenylphenyl)piperidine-3-carbonyl]amino]methyl]indol-1-yl]acetate
CID 11555610
N-[(2,3-dichlorophenyl)methyl]-2-methyl-N-piperidin-4-ylpropanamide
CID 11587945
1-[(2-chlorophenyl)methyl]-3-(2,6-diethylphenyl)-1-(4-phenylcyclohexyl)urea
CID 19935176
1-benzyl-N-cyclopropyl-N-[(2,3-dichlorophenyl)methyl]-3-(methoxymethyl)-4-(3-phenylphenyl)-3,6-dihydro-2H-pyridine-5-carboxamide
CID 59177514

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5S)-N-cyclopropyl-N-[(2,3-dichlorophenyl)methyl]-5-methyl-4-(3-phenylphenyl)piperidine-3-carboxamide?
The IUPAC name of (3R,4S,5S)-N-cyclopropyl-N-[(2,3-dichlorophenyl)methyl]-5-methyl-4-(3-phenylphenyl)piperidine-3-carboxamide (CID 59375287) is (3R,4S,5S)-N-cyclopropyl-N-[(2,3-dichlorophenyl)methyl]-5-methyl-4-(3-phenylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R,4S,5S)-N-cyclopropyl-N-[(2,3-dichlorophenyl)methyl]-5-methyl-4-(3-phenylphenyl)piperidine-3-carboxamide?
The canonical SMILES for (3R,4S,5S)-N-cyclopropyl-N-[(2,3-dichlorophenyl)methyl]-5-methyl-4-(3-phenylphenyl)piperidine-3-carboxamide is C[C@@H]1CNC[C@H](C(=O)N(Cc2cccc(Cl)c2Cl)C2CC2)[C@H]1c1cccc(-c2ccccc2)c1.
What is the InChIKey of (3R,4S,5S)-N-cyclopropyl-N-[(2,3-dichlorophenyl)methyl]-5-methyl-4-(3-phenylphenyl)piperidine-3-carboxamide?
The InChIKey is UEJVAKKOXBNNRP-WMTVXVAQSA-N. The full InChI is InChI=1S/C29H30Cl2N2O/c1-19-16-32-17-25(27(19)22-10-5-9-21(15-22)20-7-3-2-4-8-20)29(34)33(24-13-14-24)18-23-11-6-12-26(30)28(23)31/h2-12,15,19,24-25,27,32H,13-14,16-18H2,1H3/t19-,25+,27-/m1/s1.
What are the key properties of (3R,4S,5S)-N-cyclopropyl-N-[(2,3-dichlorophenyl)methyl]-5-methyl-4-(3-phenylphenyl)piperidine-3-carboxamide?
(3R,4S,5S)-N-cyclopropyl-N-[(2,3-dichlorophenyl)methyl]-5-methyl-4-(3-phenylphenyl)piperidine-3-carboxamide has a molecular weight of 493.48 g/mol, XLogP of 6.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5S)-N-cyclopropyl-N-[(2,3-dichlorophenyl)methyl]-5-methyl-4-(3-phenylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 59375287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).