N-benzyl-N-[3,4-bis(4-chlorophenyl)butan-2-yl]piperidine-2-carboxamide

C29H32Cl2N2O — CID 69351307

IUPACN-benzyl-N-[3,4-bis(4-chlorophenyl)butan-2-yl]piperidine-2-carboxamide
SMILESCC(C(Cc1ccc(Cl)cc1)c1ccc(Cl)cc1)N(Cc1ccccc1)C(=O)C1CCCCN1
InChIInChI=1S/C29H32Cl2N2O/c1-21(27(24-12-16-26(31)17-13-24)19-22-10-14-25(30)15-11-22)33(20-23-7-3-2-4-8-23)29(34)28-9-5-6-18-32-28/h2-4,7-8,10-17,21,27-28,32H,5-6,9,18-20H2,1H3
InChIKeySASMMIMJPKOBEM-UHFFFAOYSA-N
MW495.49 g/mol
LogP6.88
Rot. Bonds8

About N-benzyl-N-[3,4-bis(4-chlorophenyl)butan-2-yl]piperidine-2-carboxamide

N-benzyl-N-[3,4-bis(4-chlorophenyl)butan-2-yl]piperidine-2-carboxamide (PubChem CID 69351307) has the molecular formula C29H32Cl2N2O and a molecular weight of 495.49 g/mol. Its IUPAC name is N-benzyl-N-[3,4-bis(4-chlorophenyl)butan-2-yl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-[3,4-bis(4-chlorophenyl)butan-2-yl]piperidine-2-carboxamide
PubChem CID69351307
Molecular FormulaC29H32Cl2N2O
Molecular Weight495.49 g/mol
Exact Mass494.19
IUPAC NameN-benzyl-N-[3,4-bis(4-chlorophenyl)butan-2-yl]piperidine-2-carboxamide
SMILESCC(C(Cc1ccc(Cl)cc1)c1ccc(Cl)cc1)N(Cc1ccccc1)C(=O)C1CCCCN1
InChIInChI=1S/C29H32Cl2N2O/c1-21(27(24-12-16-26(31)17-13-24)19-22-10-14-25(30)15-11-22)33(20-23-7-3-2-4-8-23)29(34)28-9-5-6-18-32-28/h2-4,7-8,10-17,21,27-28,32H,5-6,9,18-20H2,1H3
InChIKeySASMMIMJPKOBEM-UHFFFAOYSA-N
XLogP6.88
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.49
LogP ≤ 56.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-benzyl-N-butan-2-ylpiperidine-2-carboxamide
CID 104913230
N-[(4-chlorophenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 54944765
(2R)-N-[(4-chlorophenyl)methyl]-N-cyclopropylpiperidine-2-carboxamide
CID 104913309
N-benzyl-N-cyclopropylpiperidine-2-carboxamide
CID 43579225
N-benzyl-N-propylazepane-2-carboxamide
CID 64564177
(2R)-N-[(3-chlorophenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 93367542
1-piperidin-2-yl-2-(4-propan-2-ylphenyl)ethanone
CID 116547889
(2S)-2-[(4-chlorophenyl)methyl-(2-phenylacetyl)amino]-N-cyclopentyl-3-phenylpropanamide
CID 100504223
(2R)-N-[(4-chlorophenyl)methyl]-N-(2-hydroxyethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 68863876
N-propan-2-yl-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 54873750
(2R)-2-[[2-(4-chlorophenyl)acetyl]-[(4-chlorophenyl)methyl]amino]-N-cyclohexyl-3-phenylpropanamide
CID 100603817
N-benzyl-4-chloro-N-[(1S)-1-cyclopropylethyl]benzamide
CID 92643816

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[3,4-bis(4-chlorophenyl)butan-2-yl]piperidine-2-carboxamide?
The IUPAC name of N-benzyl-N-[3,4-bis(4-chlorophenyl)butan-2-yl]piperidine-2-carboxamide (CID 69351307) is N-benzyl-N-[3,4-bis(4-chlorophenyl)butan-2-yl]piperidine-2-carboxamide.
What is the SMILES notation for N-benzyl-N-[3,4-bis(4-chlorophenyl)butan-2-yl]piperidine-2-carboxamide?
The canonical SMILES for N-benzyl-N-[3,4-bis(4-chlorophenyl)butan-2-yl]piperidine-2-carboxamide is CC(C(Cc1ccc(Cl)cc1)c1ccc(Cl)cc1)N(Cc1ccccc1)C(=O)C1CCCCN1.
What is the InChIKey of N-benzyl-N-[3,4-bis(4-chlorophenyl)butan-2-yl]piperidine-2-carboxamide?
The InChIKey is SASMMIMJPKOBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32Cl2N2O/c1-21(27(24-12-16-26(31)17-13-24)19-22-10-14-25(30)15-11-22)33(20-23-7-3-2-4-8-23)29(34)28-9-5-6-18-32-28/h2-4,7-8,10-17,21,27-28,32H,5-6,9,18-20H2,1H3.
What are the key properties of N-benzyl-N-[3,4-bis(4-chlorophenyl)butan-2-yl]piperidine-2-carboxamide?
N-benzyl-N-[3,4-bis(4-chlorophenyl)butan-2-yl]piperidine-2-carboxamide has a molecular weight of 495.49 g/mol, XLogP of 6.88, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[3,4-bis(4-chlorophenyl)butan-2-yl]piperidine-2-carboxamide is sourced from PubChem (CID 69351307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).