4-chloro-N-(4-phenylpiperidin-4-yl)butanamide;hydrochloride

C15H22Cl2N2O — CID 142638824

IUPAC4-chloro-N-(4-phenylpiperidin-4-yl)butanamide;hydrochloride
SMILESCl.O=C(CCCCl)NC1(c2ccccc2)CCNCC1
InChIInChI=1S/C15H21ClN2O.ClH/c16-10-4-7-14(19)18-15(8-11-17-12-9-15)13-5-2-1-3-6-13;/h1-3,5-6,17H,4,7-12H2,(H,18,19);1H
InChIKeyKZUUUVMLXOQRBF-UHFFFAOYSA-N
MW317.26 g/mol
LogP2.82
Rot. Bonds5

About 4-chloro-N-(4-phenylpiperidin-4-yl)butanamide;hydrochloride

4-chloro-N-(4-phenylpiperidin-4-yl)butanamide;hydrochloride (PubChem CID 142638824) has the molecular formula C15H22Cl2N2O and a molecular weight of 317.26 g/mol. Its IUPAC name is 4-chloro-N-(4-phenylpiperidin-4-yl)butanamide;hydrochloride.

Molecular Properties

Compound Name4-chloro-N-(4-phenylpiperidin-4-yl)butanamide;hydrochloride
PubChem CID142638824
Molecular FormulaC15H22Cl2N2O
Molecular Weight317.26 g/mol
Exact Mass316.11
IUPAC Name4-chloro-N-(4-phenylpiperidin-4-yl)butanamide;hydrochloride
SMILESCl.O=C(CCCCl)NC1(c2ccccc2)CCNCC1
InChIInChI=1S/C15H21ClN2O.ClH/c16-10-4-7-14(19)18-15(8-11-17-12-9-15)13-5-2-1-3-6-13;/h1-3,5-6,17H,4,7-12H2,(H,18,19);1H
InChIKeyKZUUUVMLXOQRBF-UHFFFAOYSA-N
XLogP2.82
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.26
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis(1-phenylcyclopropyl)propanediamide
CID 166301287
4-oxo-4-[(1-phenylcyclopentyl)amino]butanoic acid
CID 110442749
4-oxo-4-[(1-phenylcyclohexyl)amino]butanoic acid
CID 110465792
6-(chloroamino)-N-(4-phenyloxan-4-yl)hexanamide
CID 130330486
N-[4-[4-(aminomethyl)phenyl]-1-benzylpiperidin-4-yl]-5-chloropentanamide
CID 174522507
N-(1-phenylcyclohexyl)butanamide
CID 110478581
N-(1-phenylcyclopropyl)propanamide
CID 110441332
1-[(4-phenylpiperidin-4-yl)amino]cyclopropane-1-carbaldehyde;hydrochloride
CID 174310295
5-[[1-(4-fluorophenyl)cyclobutyl]amino]-5-oxopentanoic acid
CID 110442660
2-[(4-phenylpiperidin-4-yl)amino]pyrimidine-5-carbaldehyde
CID 144829093
N,4-diphenylpiperidin-4-amine
CID 15075648
ethane;N-methyl-4-phenylpiperidin-4-amine
CID 142022030

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-phenylpiperidin-4-yl)butanamide;hydrochloride?
The IUPAC name of 4-chloro-N-(4-phenylpiperidin-4-yl)butanamide;hydrochloride (CID 142638824) is 4-chloro-N-(4-phenylpiperidin-4-yl)butanamide;hydrochloride.
What is the SMILES notation for 4-chloro-N-(4-phenylpiperidin-4-yl)butanamide;hydrochloride?
The canonical SMILES for 4-chloro-N-(4-phenylpiperidin-4-yl)butanamide;hydrochloride is Cl.O=C(CCCCl)NC1(c2ccccc2)CCNCC1.
What is the InChIKey of 4-chloro-N-(4-phenylpiperidin-4-yl)butanamide;hydrochloride?
The InChIKey is KZUUUVMLXOQRBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O.ClH/c16-10-4-7-14(19)18-15(8-11-17-12-9-15)13-5-2-1-3-6-13;/h1-3,5-6,17H,4,7-12H2,(H,18,19);1H.
What are the key properties of 4-chloro-N-(4-phenylpiperidin-4-yl)butanamide;hydrochloride?
4-chloro-N-(4-phenylpiperidin-4-yl)butanamide;hydrochloride has a molecular weight of 317.26 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-phenylpiperidin-4-yl)butanamide;hydrochloride is sourced from PubChem (CID 142638824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).