1-[(3,4-dichlorophenyl)methyl]-N-[(2R)-4-phenylbutan-2-yl]piperidine-4-carboxamide

C23H28Cl2N2O — CID 38102463

IUPAC1-[(3,4-dichlorophenyl)methyl]-N-[(2R)-4-phenylbutan-2-yl]piperidine-4-carboxamide
SMILESC[C@H](CCc1ccccc1)NC(=O)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C23H28Cl2N2O/c1-17(7-8-18-5-3-2-4-6-18)26-23(28)20-11-13-27(14-12-20)16-19-9-10-21(24)22(25)15-19/h2-6,9-10,15,17,20H,7-8,11-14,16H2,1H3,(H,26,28)/t17-/m1/s1
InChIKeyWSZGZJNYFSXDJA-QGZVFWFLSA-N
MW419.40 g/mol
LogP5.34
Rot. Bonds7

About 1-[(3,4-dichlorophenyl)methyl]-N-[(2R)-4-phenylbutan-2-yl]piperidine-4-carboxamide

1-[(3,4-dichlorophenyl)methyl]-N-[(2R)-4-phenylbutan-2-yl]piperidine-4-carboxamide (PubChem CID 38102463) has the molecular formula C23H28Cl2N2O and a molecular weight of 419.40 g/mol. Its IUPAC name is 1-[(3,4-dichlorophenyl)methyl]-N-[(2R)-4-phenylbutan-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(3,4-dichlorophenyl)methyl]-N-[(2R)-4-phenylbutan-2-yl]piperidine-4-carboxamide
PubChem CID38102463
Molecular FormulaC23H28Cl2N2O
Molecular Weight419.40 g/mol
Exact Mass418.16
IUPAC Name1-[(3,4-dichlorophenyl)methyl]-N-[(2R)-4-phenylbutan-2-yl]piperidine-4-carboxamide
SMILESC[C@H](CCc1ccccc1)NC(=O)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C23H28Cl2N2O/c1-17(7-8-18-5-3-2-4-6-18)26-23(28)20-11-13-27(14-12-20)16-19-9-10-21(24)22(25)15-19/h2-6,9-10,15,17,20H,7-8,11-14,16H2,1H3,(H,26,28)/t17-/m1/s1
InChIKeyWSZGZJNYFSXDJA-QGZVFWFLSA-N
XLogP5.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.40
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3,4-dichlorophenyl)methyl]-N-pentan-3-ylpiperidine-4-carboxamide
CID 53284678
N-[(2S)-4-phenylbutan-2-yl]cyclopropanecarboxamide
CID 844321
N-[(2-chlorophenyl)methyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 53284707
1-[(3,4-dichlorophenyl)methyl]-N-pentan-2-ylpiperidine-3-carboxamide
CID 43924672
1-benzyl-N-(1-pyridin-4-ylpropan-2-yl)piperidine-4-carboxamide
CID 138044187
N-[3-(2-chlorophenyl)propyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 46773335
(3S)-1-[(2-chlorophenyl)methyl]-N-[(2S)-4-phenylbutan-2-yl]piperidine-3-carboxamide
CID 38102289
1-[(3-chlorophenyl)methyl]-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide
CID 1343521
(2R)-2-amino-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]propanamide;dihydrochloride
CID 119883495
1-[(4-chlorophenyl)methyl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 2187102
N-[(S)-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]cyclopropanecarboxamide
CID 92577274
N-benzhydryl-1-[(4-chlorophenyl)methyl]piperidine-4-carboxamide
CID 45016872

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-N-[(2R)-4-phenylbutan-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-N-[(2R)-4-phenylbutan-2-yl]piperidine-4-carboxamide (CID 38102463) is 1-[(3,4-dichlorophenyl)methyl]-N-[(2R)-4-phenylbutan-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(3,4-dichlorophenyl)methyl]-N-[(2R)-4-phenylbutan-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(3,4-dichlorophenyl)methyl]-N-[(2R)-4-phenylbutan-2-yl]piperidine-4-carboxamide is C[C@H](CCc1ccccc1)NC(=O)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 1-[(3,4-dichlorophenyl)methyl]-N-[(2R)-4-phenylbutan-2-yl]piperidine-4-carboxamide?
The InChIKey is WSZGZJNYFSXDJA-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H28Cl2N2O/c1-17(7-8-18-5-3-2-4-6-18)26-23(28)20-11-13-27(14-12-20)16-19-9-10-21(24)22(25)15-19/h2-6,9-10,15,17,20H,7-8,11-14,16H2,1H3,(H,26,28)/t17-/m1/s1.
What are the key properties of 1-[(3,4-dichlorophenyl)methyl]-N-[(2R)-4-phenylbutan-2-yl]piperidine-4-carboxamide?
1-[(3,4-dichlorophenyl)methyl]-N-[(2R)-4-phenylbutan-2-yl]piperidine-4-carboxamide has a molecular weight of 419.40 g/mol, XLogP of 5.34, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dichlorophenyl)methyl]-N-[(2R)-4-phenylbutan-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 38102463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).