N-[(3-butoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride

C17H27ClN2O2 — CID 119284523

IUPACN-[(3-butoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride
SMILESCCCCOc1cccc(CNC(=O)C2CCNCC2)c1.Cl
InChIInChI=1S/C17H26N2O2.ClH/c1-2-3-11-21-16-6-4-5-14(12-16)13-19-17(20)15-7-9-18-10-8-15;/h4-6,12,15,18H,2-3,7-11,13H2,1H3,(H,19,20);1H
InChIKeyCLKHLACYFLPDEB-UHFFFAOYSA-N
MW326.87 g/mol
LogP2.90
Rot. Bonds7

About N-[(3-butoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride

N-[(3-butoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 119284523) has the molecular formula C17H27ClN2O2 and a molecular weight of 326.87 g/mol. Its IUPAC name is N-[(3-butoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(3-butoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride
PubChem CID119284523
Molecular FormulaC17H27ClN2O2
Molecular Weight326.87 g/mol
Exact Mass326.18
IUPAC NameN-[(3-butoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride
SMILESCCCCOc1cccc(CNC(=O)C2CCNCC2)c1.Cl
InChIInChI=1S/C17H26N2O2.ClH/c1-2-3-11-21-16-6-4-5-14(12-16)13-19-17(20)15-7-9-18-10-8-15;/h4-6,12,15,18H,2-3,7-11,13H2,1H3,(H,19,20);1H
InChIKeyCLKHLACYFLPDEB-UHFFFAOYSA-N
XLogP2.90
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.87
LogP ≤ 52.90
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

(2S,4S)-N-[(3-butoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120621207
N-[(3-butoxyphenyl)methyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 55749602
N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidine-4-carboxamide
CID 119283411
(2S,4S)-N-[[3-(3-methoxypropoxy)phenyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120639826
N-[(4-ethoxyphenyl)methyl]piperidine-4-carboxamide
CID 94693526
4-[(3-ethoxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672581
N-benzylpiperidine-4-carboxamide
CID 3868064
N-[(3-chlorophenyl)methyl]piperidine-4-carboxamide
CID 16769351
N-[[3-(ethylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide
CID 119295612
1-amino-N-[(3-butoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 83326258
N-(3-butoxyphenyl)pyrrolidine-3-carboxamide
CID 119745768
1-[2-[(3-butoxyphenyl)methylamino]-2-oxoethyl]piperidine-4-carboxylic acid
CID 119907001

Frequently Asked Questions

What is the IUPAC name of N-[(3-butoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[(3-butoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride (CID 119284523) is N-[(3-butoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[(3-butoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[(3-butoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride is CCCCOc1cccc(CNC(=O)C2CCNCC2)c1.Cl.
What is the InChIKey of N-[(3-butoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is CLKHLACYFLPDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2.ClH/c1-2-3-11-21-16-6-4-5-14(12-16)13-19-17(20)15-7-9-18-10-8-15;/h4-6,12,15,18H,2-3,7-11,13H2,1H3,(H,19,20);1H.
What are the key properties of N-[(3-butoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride?
N-[(3-butoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 326.87 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-butoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119284523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).