(2S)-N-(3,4,5-trimethoxyphenyl)piperidine-2-carboxamide;hydrochloride

C15H23ClN2O4 — CID 119671461

IUPAC(2S)-N-(3,4,5-trimethoxyphenyl)piperidine-2-carboxamide;hydrochloride
SMILESCOc1cc(NC(=O)[C@@H]2CCCCN2)cc(OC)c1OC.Cl
InChIInChI=1S/C15H22N2O4.ClH/c1-19-12-8-10(9-13(20-2)14(12)21-3)17-15(18)11-6-4-5-7-16-11;/h8-9,11,16H,4-7H2,1-3H3,(H,17,18);1H/t11-;/m0./s1
InChIKeyLLCGQMSLONRTPH-MERQFXBCSA-N
MW330.81 g/mol
LogP2.21
Rot. Bonds5

About (2S)-N-(3,4,5-trimethoxyphenyl)piperidine-2-carboxamide;hydrochloride

(2S)-N-(3,4,5-trimethoxyphenyl)piperidine-2-carboxamide;hydrochloride (PubChem CID 119671461) has the molecular formula C15H23ClN2O4 and a molecular weight of 330.81 g/mol. Its IUPAC name is (2S)-N-(3,4,5-trimethoxyphenyl)piperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S)-N-(3,4,5-trimethoxyphenyl)piperidine-2-carboxamide;hydrochloride
PubChem CID119671461
Molecular FormulaC15H23ClN2O4
Molecular Weight330.81 g/mol
Exact Mass330.13
IUPAC Name(2S)-N-(3,4,5-trimethoxyphenyl)piperidine-2-carboxamide;hydrochloride
SMILESCOc1cc(NC(=O)[C@@H]2CCCCN2)cc(OC)c1OC.Cl
InChIInChI=1S/C15H22N2O4.ClH/c1-19-12-8-10(9-13(20-2)14(12)21-3)17-15(18)11-6-4-5-7-16-11;/h8-9,11,16H,4-7H2,1-3H3,(H,17,18);1H/t11-;/m0./s1
InChIKeyLLCGQMSLONRTPH-MERQFXBCSA-N
XLogP2.21
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.81
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-(3,4-dimethoxyphenyl)piperidine-2-carboxamide;hydrochloride
CID 119673647
N-(3,4-dimethoxyphenyl)azepane-2-carboxamide
CID 64562794
N-(3,5-dichloro-4-methoxyphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119312729
(2S)-N-(4-acetamido-3-methoxyphenyl)piperidine-2-carboxamide
CID 103808843
N-[4-(methanesulfonamido)-3-methoxyphenyl]piperidine-2-carboxamide;hydrochloride
CID 119282638
N-(4-chloro-3-methoxyphenyl)azepane-2-carboxamide
CID 107621689
N-[1-(3,4,5-trimethoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119287617
dimethyl 5-(piperidine-2-carbonylamino)benzene-1,3-dicarboxylate;hydrochloride
CID 119263110
(2S)-N-(3-ethoxy-4-methoxyphenyl)piperidine-2-carboxamide;hydrochloride
CID 119717666
(2R)-N-(4-methoxy-3-methylphenyl)piperidine-2-carboxamide
CID 94222952
N-(3,4,5-trimethoxyphenyl)thiomorpholine-3-carboxamide
CID 82906249
N-(3,4,5-trimethoxyphenyl)cyclopentanecarboxamide
CID 7741672

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3,4,5-trimethoxyphenyl)piperidine-2-carboxamide;hydrochloride?
The IUPAC name of (2S)-N-(3,4,5-trimethoxyphenyl)piperidine-2-carboxamide;hydrochloride (CID 119671461) is (2S)-N-(3,4,5-trimethoxyphenyl)piperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S)-N-(3,4,5-trimethoxyphenyl)piperidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2S)-N-(3,4,5-trimethoxyphenyl)piperidine-2-carboxamide;hydrochloride is COc1cc(NC(=O)[C@@H]2CCCCN2)cc(OC)c1OC.Cl.
What is the InChIKey of (2S)-N-(3,4,5-trimethoxyphenyl)piperidine-2-carboxamide;hydrochloride?
The InChIKey is LLCGQMSLONRTPH-MERQFXBCSA-N. The full InChI is InChI=1S/C15H22N2O4.ClH/c1-19-12-8-10(9-13(20-2)14(12)21-3)17-15(18)11-6-4-5-7-16-11;/h8-9,11,16H,4-7H2,1-3H3,(H,17,18);1H/t11-;/m0./s1.
What are the key properties of (2S)-N-(3,4,5-trimethoxyphenyl)piperidine-2-carboxamide;hydrochloride?
(2S)-N-(3,4,5-trimethoxyphenyl)piperidine-2-carboxamide;hydrochloride has a molecular weight of 330.81 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3,4,5-trimethoxyphenyl)piperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119671461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).