N-[4-(4-methoxyphenyl)butan-2-yl]piperidine-4-carboxamide;hydrochloride

C17H27ClN2O2 — CID 119288096

IUPACN-[4-(4-methoxyphenyl)butan-2-yl]piperidine-4-carboxamide;hydrochloride
SMILESCOc1ccc(CCC(C)NC(=O)C2CCNCC2)cc1.Cl
InChIInChI=1S/C17H26N2O2.ClH/c1-13(19-17(20)15-9-11-18-12-10-15)3-4-14-5-7-16(21-2)8-6-14;/h5-8,13,15,18H,3-4,9-12H2,1-2H3,(H,19,20);1H
InChIKeyVJRLTOBTTZQOKT-UHFFFAOYSA-N
MW326.87 g/mol
LogP2.55
Rot. Bonds6

About N-[4-(4-methoxyphenyl)butan-2-yl]piperidine-4-carboxamide;hydrochloride

N-[4-(4-methoxyphenyl)butan-2-yl]piperidine-4-carboxamide;hydrochloride (PubChem CID 119288096) has the molecular formula C17H27ClN2O2 and a molecular weight of 326.87 g/mol. Its IUPAC name is N-[4-(4-methoxyphenyl)butan-2-yl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(4-methoxyphenyl)butan-2-yl]piperidine-4-carboxamide;hydrochloride
PubChem CID119288096
Molecular FormulaC17H27ClN2O2
Molecular Weight326.87 g/mol
Exact Mass326.18
IUPAC NameN-[4-(4-methoxyphenyl)butan-2-yl]piperidine-4-carboxamide;hydrochloride
SMILESCOc1ccc(CCC(C)NC(=O)C2CCNCC2)cc1.Cl
InChIInChI=1S/C17H26N2O2.ClH/c1-13(19-17(20)15-9-11-18-12-10-15)3-4-14-5-7-16(21-2)8-6-14;/h5-8,13,15,18H,3-4,9-12H2,1-2H3,(H,19,20);1H
InChIKeyVJRLTOBTTZQOKT-UHFFFAOYSA-N
XLogP2.55
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.87
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(4-methoxyphenyl)butan-2-ylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974965
N-[4-(4-methoxyphenyl)butan-2-yl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119288084
(3S)-N-[(2S)-4-(4-methoxyphenyl)butan-2-yl]-1-propanoylpiperidine-3-carboxamide
CID 94820613
N-[1-[(4-methoxyphenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]piperidine-4-carboxamide;hydrochloride
CID 163331694
(3R)-1-(2,2-dimethylpropanoyl)-N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]piperidine-3-carboxamide
CID 52508214
N-[(2S)-4-phenylbutan-2-yl]cyclopropanecarboxamide
CID 844321
N-[1-(4-fluorophenyl)propan-2-yl]piperidine-4-carboxamide
CID 63010034
N-[(1R)-1-[4-[(4-methoxyphenyl)methyl]-5-(2-phenylethyl)-1,2,4-triazol-3-yl]ethyl]piperidine-4-carboxamide
CID 143864478
N-(5-methylhexan-2-yl)piperidine-4-carboxamide;hydrochloride
CID 119263583
(3S)-N-[(2S)-4-(4-methoxyphenyl)butan-2-yl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 52508766
N-[2-(4-methoxyphenyl)ethyl]-2-piperidin-4-ylacetamide;hydrochloride
CID 119673168
N-butan-2-yl-1-[2-(4-methoxyphenyl)acetyl]piperidine-4-carboxamide
CID 113002840

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxyphenyl)butan-2-yl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[4-(4-methoxyphenyl)butan-2-yl]piperidine-4-carboxamide;hydrochloride (CID 119288096) is N-[4-(4-methoxyphenyl)butan-2-yl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-(4-methoxyphenyl)butan-2-yl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[4-(4-methoxyphenyl)butan-2-yl]piperidine-4-carboxamide;hydrochloride is COc1ccc(CCC(C)NC(=O)C2CCNCC2)cc1.Cl.
What is the InChIKey of N-[4-(4-methoxyphenyl)butan-2-yl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is VJRLTOBTTZQOKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2.ClH/c1-13(19-17(20)15-9-11-18-12-10-15)3-4-14-5-7-16(21-2)8-6-14;/h5-8,13,15,18H,3-4,9-12H2,1-2H3,(H,19,20);1H.
What are the key properties of N-[4-(4-methoxyphenyl)butan-2-yl]piperidine-4-carboxamide;hydrochloride?
N-[4-(4-methoxyphenyl)butan-2-yl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 326.87 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxyphenyl)butan-2-yl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119288096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).