N-[(2,4-dimethoxyphenyl)methyl]piperidine-2-carboxamide;hydrochloride

C15H23ClN2O3 — CID 119279585

IUPACN-[(2,4-dimethoxyphenyl)methyl]piperidine-2-carboxamide;hydrochloride
SMILESCOc1ccc(CNC(=O)C2CCCCN2)c(OC)c1.Cl
InChIInChI=1S/C15H22N2O3.ClH/c1-19-12-7-6-11(14(9-12)20-2)10-17-15(18)13-5-3-4-8-16-13;/h6-7,9,13,16H,3-5,8,10H2,1-2H3,(H,17,18);1H
InChIKeySQYUTBAOUVXASM-UHFFFAOYSA-N
MW314.81 g/mol
LogP1.88
Rot. Bonds5

About N-[(2,4-dimethoxyphenyl)methyl]piperidine-2-carboxamide;hydrochloride

N-[(2,4-dimethoxyphenyl)methyl]piperidine-2-carboxamide;hydrochloride (PubChem CID 119279585) has the molecular formula C15H23ClN2O3 and a molecular weight of 314.81 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]piperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]piperidine-2-carboxamide;hydrochloride
PubChem CID119279585
Molecular FormulaC15H23ClN2O3
Molecular Weight314.81 g/mol
Exact Mass314.14
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]piperidine-2-carboxamide;hydrochloride
SMILESCOc1ccc(CNC(=O)C2CCCCN2)c(OC)c1.Cl
InChIInChI=1S/C15H22N2O3.ClH/c1-19-12-7-6-11(14(9-12)20-2)10-17-15(18)13-5-3-4-8-16-13;/h6-7,9,13,16H,3-5,8,10H2,1-2H3,(H,17,18);1H
InChIKeySQYUTBAOUVXASM-UHFFFAOYSA-N
XLogP1.88
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.81
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119334414
(2R)-N-[(2,5-dimethoxyphenyl)methyl]piperidine-2-carboxamide
CID 103808409
N-[2-(2,4-dimethoxyphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119302405
N-[(2,4-dimethoxyphenyl)methyl]thiomorpholine-3-carboxamide
CID 82916253
N-[(3,4-dimethoxyphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119263557
N-[(2,4-dimethoxyphenyl)methyl]cyclopropanecarboxamide
CID 47161024
N-[(2,4-dimethoxyphenyl)methyl]-5-methylpiperazine-2-carboxamide
CID 63363227
N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 119334399
(2S)-N-[[2,4-bis(difluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
CID 84588646
N-[(2,4-dimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 63362624
N-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119296053
N-[(2,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 119279598

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]piperidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]piperidine-2-carboxamide;hydrochloride (CID 119279585) is N-[(2,4-dimethoxyphenyl)methyl]piperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]piperidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]piperidine-2-carboxamide;hydrochloride is COc1ccc(CNC(=O)C2CCCCN2)c(OC)c1.Cl.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]piperidine-2-carboxamide;hydrochloride?
The InChIKey is SQYUTBAOUVXASM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3.ClH/c1-19-12-7-6-11(14(9-12)20-2)10-17-15(18)13-5-3-4-8-16-13;/h6-7,9,13,16H,3-5,8,10H2,1-2H3,(H,17,18);1H.
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]piperidine-2-carboxamide;hydrochloride?
N-[(2,4-dimethoxyphenyl)methyl]piperidine-2-carboxamide;hydrochloride has a molecular weight of 314.81 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]piperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119279585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).