2,2-bis(4-chlorophenyl)-N-[3-[4-(2-methylphenyl)piperidin-1-yl]propyl]acetamide

C29H32Cl2N2O — CID 141092531

IUPAC2,2-bis(4-chlorophenyl)-N-[3-[4-(2-methylphenyl)piperidin-1-yl]propyl]acetamide
SMILESCc1ccccc1C1CCN(CCCNC(=O)C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C29H32Cl2N2O/c1-21-5-2-3-6-27(21)22-15-19-33(20-16-22)18-4-17-32-29(34)28(23-7-11-25(30)12-8-23)24-9-13-26(31)14-10-24/h2-3,5-14,22,28H,4,15-20H2,1H3,(H,32,34)
InChIKeyLLCALZQMZYPWST-UHFFFAOYSA-N
MW495.49 g/mol
LogP6.82
Rot. Bonds8

About 2,2-bis(4-chlorophenyl)-N-[3-[4-(2-methylphenyl)piperidin-1-yl]propyl]acetamide

2,2-bis(4-chlorophenyl)-N-[3-[4-(2-methylphenyl)piperidin-1-yl]propyl]acetamide (PubChem CID 141092531) has the molecular formula C29H32Cl2N2O and a molecular weight of 495.49 g/mol. Its IUPAC name is 2,2-bis(4-chlorophenyl)-N-[3-[4-(2-methylphenyl)piperidin-1-yl]propyl]acetamide.

Molecular Properties

Compound Name2,2-bis(4-chlorophenyl)-N-[3-[4-(2-methylphenyl)piperidin-1-yl]propyl]acetamide
PubChem CID141092531
Molecular FormulaC29H32Cl2N2O
Molecular Weight495.49 g/mol
Exact Mass494.19
IUPAC Name2,2-bis(4-chlorophenyl)-N-[3-[4-(2-methylphenyl)piperidin-1-yl]propyl]acetamide
SMILESCc1ccccc1C1CCN(CCCNC(=O)C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C29H32Cl2N2O/c1-21-5-2-3-6-27(21)22-15-19-33(20-16-22)18-4-17-32-29(34)28(23-7-11-25(30)12-8-23)24-9-13-26(31)14-10-24/h2-3,5-14,22,28H,4,15-20H2,1H3,(H,32,34)
InChIKeyLLCALZQMZYPWST-UHFFFAOYSA-N
XLogP6.82
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 ≤ 56.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(4-benzylpiperidin-1-yl)propyl]-2,2-bis(4-chlorophenyl)acetamide
CID 122188500
N-[3-[1-[3-[[2,2-bis(4-chlorophenyl)acetyl]amino]propyl]piperidin-4-yl]-4-methylphenyl]-2-methylpropanamide;N-[5-[1-[3-[[2,2-bis(4-fluorophenyl)acetyl]amino]propyl]piperidin-4-yl]-2,4-difluorophenyl]-2-methylpropanamide;N-[3-[1-[3-[[2,2-bis(4-fluorophenyl)acetyl]amino]propyl]piperidin-4-yl]-4-fluorophenyl]-2-methylpropanamide
CID 158942124
2,2-difluoro-N-[3-[4-(2-methylphenyl)piperidin-1-yl]propyl]-2-phenylacetamide
CID 141092517
N-[3-[1-[3-[(2,2-diphenylacetyl)amino]propyl]piperidin-4-yl]-2,4,6-trifluorophenyl]propanamide
CID 142926195
2-(4-chlorophenyl)-2-cyclopropyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]acetamide
CID 110309383
benzyl-[3-[1-[3-[(2,2-diphenylacetyl)amino]propyl]piperidin-4-yl]phenyl]carbamic acid
CID 69192330
5-chloro-2-methoxy-N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]benzamide
CID 131891063
N-[3-[1-[6-[(2,2-diphenylacetyl)amino]hexyl]piperidin-4-yl]phenyl]propanamide
CID 142203741
N-[(1S)-1-(4-chlorophenyl)ethyl]-3-(4-phenylpiperidin-1-yl)propanamide
CID 57394152
1-(4-chlorophenyl)-3-[3-(4-methylpiperidin-1-yl)propyl]urea
CID 27733890
3-(2-methyl-6-oxo-1-pyridinyl)-N-[2-[(3S)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]propanamide
CID 126441731
3-(2-methyl-6-oxo-1-pyridinyl)-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]propanamide
CID 126441730

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(4-chlorophenyl)-N-[3-[4-(2-methylphenyl)piperidin-1-yl]propyl]acetamide?
The IUPAC name of 2,2-bis(4-chlorophenyl)-N-[3-[4-(2-methylphenyl)piperidin-1-yl]propyl]acetamide (CID 141092531) is 2,2-bis(4-chlorophenyl)-N-[3-[4-(2-methylphenyl)piperidin-1-yl]propyl]acetamide.
What is the SMILES notation for 2,2-bis(4-chlorophenyl)-N-[3-[4-(2-methylphenyl)piperidin-1-yl]propyl]acetamide?
The canonical SMILES for 2,2-bis(4-chlorophenyl)-N-[3-[4-(2-methylphenyl)piperidin-1-yl]propyl]acetamide is Cc1ccccc1C1CCN(CCCNC(=O)C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 2,2-bis(4-chlorophenyl)-N-[3-[4-(2-methylphenyl)piperidin-1-yl]propyl]acetamide?
The InChIKey is LLCALZQMZYPWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32Cl2N2O/c1-21-5-2-3-6-27(21)22-15-19-33(20-16-22)18-4-17-32-29(34)28(23-7-11-25(30)12-8-23)24-9-13-26(31)14-10-24/h2-3,5-14,22,28H,4,15-20H2,1H3,(H,32,34).
What are the key properties of 2,2-bis(4-chlorophenyl)-N-[3-[4-(2-methylphenyl)piperidin-1-yl]propyl]acetamide?
2,2-bis(4-chlorophenyl)-N-[3-[4-(2-methylphenyl)piperidin-1-yl]propyl]acetamide has a molecular weight of 495.49 g/mol, XLogP of 6.82, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(4-chlorophenyl)-N-[3-[4-(2-methylphenyl)piperidin-1-yl]propyl]acetamide is sourced from PubChem (CID 141092531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).