N-[(4-propan-2-yloxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride

C16H25ClN2O2 — CID 119280596

IUPACN-[(4-propan-2-yloxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride
SMILESCC(C)Oc1ccc(CNC(=O)C2CCNCC2)cc1.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-12(2)20-15-5-3-13(4-6-15)11-18-16(19)14-7-9-17-10-8-14;/h3-6,12,14,17H,7-11H2,1-2H3,(H,18,19);1H
InChIKeyQVCUCIXIYOJESU-UHFFFAOYSA-N
MW312.84 g/mol
LogP2.51
Rot. Bonds5

About N-[(4-propan-2-yloxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride

N-[(4-propan-2-yloxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 119280596) has the molecular formula C16H25ClN2O2 and a molecular weight of 312.84 g/mol. Its IUPAC name is N-[(4-propan-2-yloxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(4-propan-2-yloxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride
PubChem CID119280596
Molecular FormulaC16H25ClN2O2
Molecular Weight312.84 g/mol
Exact Mass312.16
IUPAC NameN-[(4-propan-2-yloxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride
SMILESCC(C)Oc1ccc(CNC(=O)C2CCNCC2)cc1.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-12(2)20-15-5-3-13(4-6-15)11-18-16(19)14-7-9-17-10-8-14;/h3-6,12,14,17H,7-11H2,1-2H3,(H,18,19);1H
InChIKeyQVCUCIXIYOJESU-UHFFFAOYSA-N
XLogP2.51
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-ethoxyphenyl)methyl]piperidine-4-carboxamide
CID 94693526
N-[(4-chlorophenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 74889868
N-[(4-cyclohexyloxyphenyl)methyl]piperidine-4-carboxamide
CID 119312792
2-hydroxy-N-[(4-propan-2-yloxyphenyl)methyl]cyclopentane-1-carboxamide
CID 110013989
N-benzylpiperidine-4-carboxamide
CID 3868064
N-[[4-(4-methoxyphenyl)phenyl]methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119806005
ethyl 4-[(piperidine-4-carbonylamino)methyl]benzoate
CID 119302054
N-[(4-propan-2-yloxyphenyl)methyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 55588225
cis-(1R,2S)-2-[(4-propan-2-yloxyphenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 125132224
N-(2-fluoro-4-propan-2-yloxyphenyl)piperidine-4-carboxamide;hydrochloride
CID 119308648
N-[(3-butoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 119284523
1-propan-2-yl-3-[(4-propan-2-yloxyphenyl)methyl]urea
CID 47216205

Frequently Asked Questions

What is the IUPAC name of N-[(4-propan-2-yloxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[(4-propan-2-yloxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride (CID 119280596) is N-[(4-propan-2-yloxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[(4-propan-2-yloxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[(4-propan-2-yloxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride is CC(C)Oc1ccc(CNC(=O)C2CCNCC2)cc1.Cl.
What is the InChIKey of N-[(4-propan-2-yloxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is QVCUCIXIYOJESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2.ClH/c1-12(2)20-15-5-3-13(4-6-15)11-18-16(19)14-7-9-17-10-8-14;/h3-6,12,14,17H,7-11H2,1-2H3,(H,18,19);1H.
What are the key properties of N-[(4-propan-2-yloxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride?
N-[(4-propan-2-yloxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 312.84 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-propan-2-yloxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119280596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).