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

C14H21ClN2O3 — CID 119673647

IUPAC(2S)-N-(3,4-dimethoxyphenyl)piperidine-2-carboxamide;hydrochloride
SMILESCOc1ccc(NC(=O)[C@@H]2CCCCN2)cc1OC.Cl
InChIInChI=1S/C14H20N2O3.ClH/c1-18-12-7-6-10(9-13(12)19-2)16-14(17)11-5-3-4-8-15-11;/h6-7,9,11,15H,3-5,8H2,1-2H3,(H,16,17);1H/t11-;/m0./s1
InChIKeyFPBXODYPDWBTPN-MERQFXBCSA-N
MW300.79 g/mol
LogP2.21
Rot. Bonds4

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

(2S)-N-(3,4-dimethoxyphenyl)piperidine-2-carboxamide;hydrochloride (PubChem CID 119673647) has the molecular formula C14H21ClN2O3 and a molecular weight of 300.79 g/mol. Its IUPAC name is (2S)-N-(3,4-dimethoxyphenyl)piperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S)-N-(3,4-dimethoxyphenyl)piperidine-2-carboxamide;hydrochloride
PubChem CID119673647
Molecular FormulaC14H21ClN2O3
Molecular Weight300.79 g/mol
Exact Mass300.12
IUPAC Name(2S)-N-(3,4-dimethoxyphenyl)piperidine-2-carboxamide;hydrochloride
SMILESCOc1ccc(NC(=O)[C@@H]2CCCCN2)cc1OC.Cl
InChIInChI=1S/C14H20N2O3.ClH/c1-18-12-7-6-10(9-13(12)19-2)16-14(17)11-5-3-4-8-15-11;/h6-7,9,11,15H,3-5,8H2,1-2H3,(H,16,17);1H/t11-;/m0./s1
InChIKeyFPBXODYPDWBTPN-MERQFXBCSA-N
XLogP2.21
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-N-(3,4-dimethoxyphenyl)piperidine-2-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3,4-dimethoxyphenyl)azepane-2-carboxamide
CID 64562794
(2S)-N-(3-ethoxy-4-methoxyphenyl)piperidine-2-carboxamide;hydrochloride
CID 119717666
(2S)-N-(3-ethoxy-4-methoxyphenyl)piperidine-2-carboxamide
CID 103808938
N-(3-ethoxy-4-methoxyphenyl)piperidine-2-carboxamide
CID 43712591
(2R)-N-(4-methoxy-3-methylphenyl)piperidine-2-carboxamide
CID 94222952
(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
(2S)-N-(3,4,5-trimethoxyphenyl)piperidine-2-carboxamide;hydrochloride
CID 119671461
(2R)-N-(3-ethoxy-4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 103795109
(2R)-N-[3-(difluoromethoxy)-4-methoxyphenyl]pyrrolidine-2-carboxamide
CID 103794468
(2R)-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]pyrrolidine-2-carboxamide
CID 104900490

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3,4-dimethoxyphenyl)piperidine-2-carboxamide;hydrochloride?
The IUPAC name of (2S)-N-(3,4-dimethoxyphenyl)piperidine-2-carboxamide;hydrochloride (CID 119673647) is (2S)-N-(3,4-dimethoxyphenyl)piperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S)-N-(3,4-dimethoxyphenyl)piperidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2S)-N-(3,4-dimethoxyphenyl)piperidine-2-carboxamide;hydrochloride is COc1ccc(NC(=O)[C@@H]2CCCCN2)cc1OC.Cl.
What is the InChIKey of (2S)-N-(3,4-dimethoxyphenyl)piperidine-2-carboxamide;hydrochloride?
The InChIKey is FPBXODYPDWBTPN-MERQFXBCSA-N. The full InChI is InChI=1S/C14H20N2O3.ClH/c1-18-12-7-6-10(9-13(12)19-2)16-14(17)11-5-3-4-8-15-11;/h6-7,9,11,15H,3-5,8H2,1-2H3,(H,16,17);1H/t11-;/m0./s1.
What are the key properties of (2S)-N-(3,4-dimethoxyphenyl)piperidine-2-carboxamide;hydrochloride?
(2S)-N-(3,4-dimethoxyphenyl)piperidine-2-carboxamide;hydrochloride has a molecular weight of 300.79 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3,4-dimethoxyphenyl)piperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119673647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).