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

C29H32Cl2N2O — CID 122188500

IUPACN-[3-(4-benzylpiperidin-1-yl)propyl]-2,2-bis(4-chlorophenyl)acetamide
SMILESO=C(NCCCN1CCC(Cc2ccccc2)CC1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C29H32Cl2N2O/c30-26-11-7-24(8-12-26)28(25-9-13-27(31)14-10-25)29(34)32-17-4-18-33-19-15-23(16-20-33)21-22-5-2-1-3-6-22/h1-3,5-14,23,28H,4,15-21H2,(H,32,34)
InChIKeyWMWWIRQFIVCLLM-UHFFFAOYSA-N
MW495.49 g/mol
LogP6.59
Rot. Bonds9

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

N-[3-(4-benzylpiperidin-1-yl)propyl]-2,2-bis(4-chlorophenyl)acetamide (PubChem CID 122188500) has the molecular formula C29H32Cl2N2O and a molecular weight of 495.49 g/mol. Its IUPAC name is N-[3-(4-benzylpiperidin-1-yl)propyl]-2,2-bis(4-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-[3-(4-benzylpiperidin-1-yl)propyl]-2,2-bis(4-chlorophenyl)acetamide
PubChem CID122188500
Molecular FormulaC29H32Cl2N2O
Molecular Weight495.49 g/mol
Exact Mass494.19
IUPAC NameN-[3-(4-benzylpiperidin-1-yl)propyl]-2,2-bis(4-chlorophenyl)acetamide
SMILESO=C(NCCCN1CCC(Cc2ccccc2)CC1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C29H32Cl2N2O/c30-26-11-7-24(8-12-26)28(25-9-13-27(31)14-10-25)29(34)32-17-4-18-33-19-15-23(16-20-33)21-22-5-2-1-3-6-22/h1-3,5-14,23,28H,4,15-21H2,(H,32,34)
InChIKeyWMWWIRQFIVCLLM-UHFFFAOYSA-N
XLogP6.59
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.49
LogP ≤ 56.59
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

2,2-bis(4-chlorophenyl)-N-[3-[4-(2-methylphenyl)piperidin-1-yl]propyl]acetamide
CID 141092531
N-[3-(4-benzylpiperidin-1-yl)propyl]-2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide
CID 20968221
N-[3-(4-benzylpiperidin-1-yl)propyl]-4-(4-chlorophenyl)benzenesulfonamide
CID 162364662
2-(4-benzylpiperidin-1-yl)ethylcarbamic acid
CID 166653471
N-[3-(4-benzylpiperidin-1-yl)propyl]-2-(3-oxo-1,2-benzothiazol-2-yl)propanamide
CID 22514932
benzyl-[3-[1-[3-[(2,2-diphenylacetyl)amino]propyl]piperidin-4-yl]phenyl]carbamic acid
CID 69192330
N-[(2S)-5-(4-benzylpiperidin-1-yl)-1-oxo-1-(2-phenylethylamino)pentan-2-yl]-2-chlorobenzamide
CID 72547640
3-[4-(4-benzylpiperidin-1-yl)butylcarbamoyl-methylamino]propanoic acid
CID 122001518
3-[2-[3-(4-benzylpiperidin-1-yl)propylamino]-2-oxoethyl]-5-chloro-1H-indole-2-carboxylic acid
CID 22431047
N-[2-(4-benzylpiperidin-1-yl)ethyl]-2-[6-(4-chlorophenyl)-3-oxo-1,4-dihydropyridazin-2-yl]acetamide
CID 4280262
N-[5-(4-benzylpiperidin-1-yl)-2-(3,4-dichlorophenyl)pentyl]-2,4-dichlorobenzamide;hydrochloride
CID 21477563
N-[3-(4-benzylpiperidin-1-yl)propyl]-3-chloro-4-methylaniline
CID 18539233

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-benzylpiperidin-1-yl)propyl]-2,2-bis(4-chlorophenyl)acetamide?
The IUPAC name of N-[3-(4-benzylpiperidin-1-yl)propyl]-2,2-bis(4-chlorophenyl)acetamide (CID 122188500) is N-[3-(4-benzylpiperidin-1-yl)propyl]-2,2-bis(4-chlorophenyl)acetamide.
What is the SMILES notation for N-[3-(4-benzylpiperidin-1-yl)propyl]-2,2-bis(4-chlorophenyl)acetamide?
The canonical SMILES for N-[3-(4-benzylpiperidin-1-yl)propyl]-2,2-bis(4-chlorophenyl)acetamide is O=C(NCCCN1CCC(Cc2ccccc2)CC1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of N-[3-(4-benzylpiperidin-1-yl)propyl]-2,2-bis(4-chlorophenyl)acetamide?
The InChIKey is WMWWIRQFIVCLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32Cl2N2O/c30-26-11-7-24(8-12-26)28(25-9-13-27(31)14-10-25)29(34)32-17-4-18-33-19-15-23(16-20-33)21-22-5-2-1-3-6-22/h1-3,5-14,23,28H,4,15-21H2,(H,32,34).
What are the key properties of N-[3-(4-benzylpiperidin-1-yl)propyl]-2,2-bis(4-chlorophenyl)acetamide?
N-[3-(4-benzylpiperidin-1-yl)propyl]-2,2-bis(4-chlorophenyl)acetamide has a molecular weight of 495.49 g/mol, XLogP of 6.59, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-benzylpiperidin-1-yl)propyl]-2,2-bis(4-chlorophenyl)acetamide is sourced from PubChem (CID 122188500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).