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

C20H25ClN2O2 — CID 119283165

IUPACN-[(4-phenylmethoxyphenyl)methyl]piperidine-3-carboxamide;hydrochloride
SMILESCl.O=C(NCc1ccc(OCc2ccccc2)cc1)C1CCCNC1
InChIInChI=1S/C20H24N2O2.ClH/c23-20(18-7-4-12-21-14-18)22-13-16-8-10-19(11-9-16)24-15-17-5-2-1-3-6-17;/h1-3,5-6,8-11,18,21H,4,7,12-15H2,(H,22,23);1H
InChIKeyTVUACBKVXFRHOD-UHFFFAOYSA-N
MW360.89 g/mol
LogP3.30
Rot. Bonds6

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

N-[(4-phenylmethoxyphenyl)methyl]piperidine-3-carboxamide;hydrochloride (PubChem CID 119283165) has the molecular formula C20H25ClN2O2 and a molecular weight of 360.89 g/mol. Its IUPAC name is N-[(4-phenylmethoxyphenyl)methyl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(4-phenylmethoxyphenyl)methyl]piperidine-3-carboxamide;hydrochloride
PubChem CID119283165
Molecular FormulaC20H25ClN2O2
Molecular Weight360.89 g/mol
Exact Mass360.16
IUPAC NameN-[(4-phenylmethoxyphenyl)methyl]piperidine-3-carboxamide;hydrochloride
SMILESCl.O=C(NCc1ccc(OCc2ccccc2)cc1)C1CCCNC1
InChIInChI=1S/C20H24N2O2.ClH/c23-20(18-7-4-12-21-14-18)22-13-16-8-10-19(11-9-16)24-15-17-5-2-1-3-6-17;/h1-3,5-6,8-11,18,21H,4,7,12-15H2,(H,22,23);1H
InChIKeyTVUACBKVXFRHOD-UHFFFAOYSA-N
XLogP3.30
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(phenoxymethyl)phenyl]methyl]piperidine-3-carboxamide
CID 119286636
N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidine-3-carboxamide;hydrochloride
CID 119277649
N-[4-[(4-phenylphenyl)methoxy]phenyl]piperidine-3-carboxamide
CID 25222866
3-amino-N-[(4-phenylmethoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119712143
(3S)-N-benzylpyrrolidine-3-carboxamide
CID 94915415
N-[(4-phenylmethoxyphenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119712153
(3S)-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide
CID 81133538
N-[(4-cyclohexyloxyphenyl)methyl]piperidine-3-carboxamide
CID 119312808
(3R)-N-[(4-cyanophenyl)methyl]piperidine-3-carboxamide
CID 81124360
N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 18073073
(3S)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide
CID 94688914
N-[(3-hydroxyphenyl)methyl]piperidine-3-carboxamide
CID 110471905

Frequently Asked Questions

What is the IUPAC name of N-[(4-phenylmethoxyphenyl)methyl]piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[(4-phenylmethoxyphenyl)methyl]piperidine-3-carboxamide;hydrochloride (CID 119283165) is N-[(4-phenylmethoxyphenyl)methyl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[(4-phenylmethoxyphenyl)methyl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[(4-phenylmethoxyphenyl)methyl]piperidine-3-carboxamide;hydrochloride is Cl.O=C(NCc1ccc(OCc2ccccc2)cc1)C1CCCNC1.
What is the InChIKey of N-[(4-phenylmethoxyphenyl)methyl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is TVUACBKVXFRHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2.ClH/c23-20(18-7-4-12-21-14-18)22-13-16-8-10-19(11-9-16)24-15-17-5-2-1-3-6-17;/h1-3,5-6,8-11,18,21H,4,7,12-15H2,(H,22,23);1H.
What are the key properties of N-[(4-phenylmethoxyphenyl)methyl]piperidine-3-carboxamide;hydrochloride?
N-[(4-phenylmethoxyphenyl)methyl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 360.89 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-phenylmethoxyphenyl)methyl]piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119283165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).