N-[3-(propan-2-yloxymethyl)phenyl]piperidine-3-carboxamide;hydrochloride

C16H25ClN2O2 — CID 119306298

IUPACN-[3-(propan-2-yloxymethyl)phenyl]piperidine-3-carboxamide;hydrochloride
SMILESCC(C)OCc1cccc(NC(=O)C2CCCNC2)c1.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-12(2)20-11-13-5-3-7-15(9-13)18-16(19)14-6-4-8-17-10-14;/h3,5,7,9,12,14,17H,4,6,8,10-11H2,1-2H3,(H,18,19);1H
InChIKeyQTSVBNXTOXTCPG-UHFFFAOYSA-N
MW312.84 g/mol
LogP2.97
Rot. Bonds5

About N-[3-(propan-2-yloxymethyl)phenyl]piperidine-3-carboxamide;hydrochloride

N-[3-(propan-2-yloxymethyl)phenyl]piperidine-3-carboxamide;hydrochloride (PubChem CID 119306298) has the molecular formula C16H25ClN2O2 and a molecular weight of 312.84 g/mol. Its IUPAC name is N-[3-(propan-2-yloxymethyl)phenyl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(propan-2-yloxymethyl)phenyl]piperidine-3-carboxamide;hydrochloride
PubChem CID119306298
Molecular FormulaC16H25ClN2O2
Molecular Weight312.84 g/mol
Exact Mass312.16
IUPAC NameN-[3-(propan-2-yloxymethyl)phenyl]piperidine-3-carboxamide;hydrochloride
SMILESCC(C)OCc1cccc(NC(=O)C2CCCNC2)c1.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-12(2)20-11-13-5-3-7-15(9-13)18-16(19)14-6-4-8-17-10-14;/h3,5,7,9,12,14,17H,4,6,8,10-11H2,1-2H3,(H,18,19);1H
InChIKeyQTSVBNXTOXTCPG-UHFFFAOYSA-N
XLogP2.97
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 ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(propan-2-yloxymethyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119753972
(3S)-N-[3-(methoxymethyl)phenyl]piperidine-3-carboxamide
CID 81123662
N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]pyrrolidine-3-carboxamide
CID 119754199
N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]piperidine-3-carboxamide;hydrochloride
CID 119306626
(3R)-N-[3-[(dimethylamino)methyl]phenyl]piperidine-3-carboxamide
CID 81123295
N-[3-[(3-methylphenyl)methoxy]phenyl]piperidine-3-carboxamide;hydrochloride
CID 119323699
N-[3-(methylsulfinylmethyl)phenyl]piperidine-3-carboxamide
CID 119327480
methyl 2-[[3-(piperidine-3-carbonylamino)phenyl]methylsulfanyl]acetate;hydrochloride
CID 119318862
N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]piperidine-3-carboxamide
CID 119282363
N-[3-(3-methylbutoxy)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119306015
N-[3-(cyclopropylmethoxymethyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119754032
N-[3-(tert-butylsulfinylmethyl)phenyl]piperidine-3-carboxamide
CID 119327256

Frequently Asked Questions

What is the IUPAC name of N-[3-(propan-2-yloxymethyl)phenyl]piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[3-(propan-2-yloxymethyl)phenyl]piperidine-3-carboxamide;hydrochloride (CID 119306298) is N-[3-(propan-2-yloxymethyl)phenyl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(propan-2-yloxymethyl)phenyl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(propan-2-yloxymethyl)phenyl]piperidine-3-carboxamide;hydrochloride is CC(C)OCc1cccc(NC(=O)C2CCCNC2)c1.Cl.
What is the InChIKey of N-[3-(propan-2-yloxymethyl)phenyl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is QTSVBNXTOXTCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2.ClH/c1-12(2)20-11-13-5-3-7-15(9-13)18-16(19)14-6-4-8-17-10-14;/h3,5,7,9,12,14,17H,4,6,8,10-11H2,1-2H3,(H,18,19);1H.
What are the key properties of N-[3-(propan-2-yloxymethyl)phenyl]piperidine-3-carboxamide;hydrochloride?
N-[3-(propan-2-yloxymethyl)phenyl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 312.84 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(propan-2-yloxymethyl)phenyl]piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119306298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).