N-[3-(3-methoxyphenyl)propyl]piperidine-2-carboxamide;hydrochloride

C16H25ClN2O2 — CID 119316858

IUPACN-[3-(3-methoxyphenyl)propyl]piperidine-2-carboxamide;hydrochloride
SMILESCOc1cccc(CCCNC(=O)C2CCCCN2)c1.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-20-14-8-4-6-13(12-14)7-5-11-18-16(19)15-9-2-3-10-17-15;/h4,6,8,12,15,17H,2-3,5,7,9-11H2,1H3,(H,18,19);1H
InChIKeyPEWJAFJOWZQAGB-UHFFFAOYSA-N
MW312.84 g/mol
LogP2.31
Rot. Bonds6

About N-[3-(3-methoxyphenyl)propyl]piperidine-2-carboxamide;hydrochloride

N-[3-(3-methoxyphenyl)propyl]piperidine-2-carboxamide;hydrochloride (PubChem CID 119316858) has the molecular formula C16H25ClN2O2 and a molecular weight of 312.84 g/mol. Its IUPAC name is N-[3-(3-methoxyphenyl)propyl]piperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(3-methoxyphenyl)propyl]piperidine-2-carboxamide;hydrochloride
PubChem CID119316858
Molecular FormulaC16H25ClN2O2
Molecular Weight312.84 g/mol
Exact Mass312.16
IUPAC NameN-[3-(3-methoxyphenyl)propyl]piperidine-2-carboxamide;hydrochloride
SMILESCOc1cccc(CCCNC(=O)C2CCCCN2)c1.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-20-14-8-4-6-13(12-14)7-5-11-18-16(19)15-9-2-3-10-17-15;/h4,6,8,12,15,17H,2-3,5,7,9-11H2,1H3,(H,18,19);1H
InChIKeyPEWJAFJOWZQAGB-UHFFFAOYSA-N
XLogP2.31
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(3-methoxyphenyl)propyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119316856
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CID 50944119
N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119263802
(2S)-N-(3-phenylpropyl)pyrrolidine-2-carboxamide
CID 14234527
N-[4-(3-methoxyphenyl)butyl]cyclobutanecarboxamide
CID 22922635
N-[2-(3-methoxyphenyl)ethyl]cyclohexanecarboxamide
CID 47041879
1-(azepan-2-yl)-2-(3-methoxyphenyl)ethanone
CID 116582555
N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119262908
(3-methoxyphenyl)methyl (2R)-piperidine-2-carboxylate
CID 79034994
N-[2-(3-chlorophenyl)ethyl]piperidine-2-carboxamide
CID 61276083
N-[2-(2,4-dimethoxyphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119302405
N-[(3-ethoxyphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119284494

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methoxyphenyl)propyl]piperidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[3-(3-methoxyphenyl)propyl]piperidine-2-carboxamide;hydrochloride (CID 119316858) is N-[3-(3-methoxyphenyl)propyl]piperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(3-methoxyphenyl)propyl]piperidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(3-methoxyphenyl)propyl]piperidine-2-carboxamide;hydrochloride is COc1cccc(CCCNC(=O)C2CCCCN2)c1.Cl.
What is the InChIKey of N-[3-(3-methoxyphenyl)propyl]piperidine-2-carboxamide;hydrochloride?
The InChIKey is PEWJAFJOWZQAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2.ClH/c1-20-14-8-4-6-13(12-14)7-5-11-18-16(19)15-9-2-3-10-17-15;/h4,6,8,12,15,17H,2-3,5,7,9-11H2,1H3,(H,18,19);1H.
What are the key properties of N-[3-(3-methoxyphenyl)propyl]piperidine-2-carboxamide;hydrochloride?
N-[3-(3-methoxyphenyl)propyl]piperidine-2-carboxamide;hydrochloride has a molecular weight of 312.84 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methoxyphenyl)propyl]piperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119316858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).