(2S,4S)-N-[(3-fluoro-5-methoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide;hydrochloride

C15H22ClFN2O2 — CID 120641010

IUPAC(2S,4S)-N-[(3-fluoro-5-methoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESCOc1cc(F)cc(CNC(=O)[C@H]2CCN[C@@H](C)C2)c1.Cl
InChIInChI=1S/C15H21FN2O2.ClH/c1-10-5-12(3-4-17-10)15(19)18-9-11-6-13(16)8-14(7-11)20-2;/h6-8,10,12,17H,3-5,9H2,1-2H3,(H,18,19);1H/t10-,12-;/m0./s1
InChIKeyGDTWBDMGSUTADJ-JGAZGGJJSA-N
MW316.80 g/mol
LogP2.26
Rot. Bonds4

About (2S,4S)-N-[(3-fluoro-5-methoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide;hydrochloride

(2S,4S)-N-[(3-fluoro-5-methoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120641010) has the molecular formula C15H22ClFN2O2 and a molecular weight of 316.80 g/mol. Its IUPAC name is (2S,4S)-N-[(3-fluoro-5-methoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-N-[(3-fluoro-5-methoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
PubChem CID120641010
Molecular FormulaC15H22ClFN2O2
Molecular Weight316.80 g/mol
Exact Mass316.14
IUPAC Name(2S,4S)-N-[(3-fluoro-5-methoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESCOc1cc(F)cc(CNC(=O)[C@H]2CCN[C@@H](C)C2)c1.Cl
InChIInChI=1S/C15H21FN2O2.ClH/c1-10-5-12(3-4-17-10)15(19)18-9-11-6-13(16)8-14(7-11)20-2;/h6-8,10,12,17H,3-5,9H2,1-2H3,(H,18,19);1H/t10-,12-;/m0./s1
InChIKeyGDTWBDMGSUTADJ-JGAZGGJJSA-N
XLogP2.26
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.80
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S,4S)-N-[(3-fluoro-5-methoxyphenyl)methyl]-2-methylpiperidine-4-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

(2S,4S)-N-[(3-fluoro-5-methoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide
CID 120641011
(2S,4S)-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 120618500
N-[2-(3,5-difluorophenyl)ethyl]-2-methylpiperidine-4-carboxamide
CID 106739949
(2S,4S)-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120620915
(2S,4S)-2-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 120619401
(2S,4S)-N-[[3-(difluoromethoxy)phenyl]methyl]-2-methylpiperidine-4-carboxamide
CID 120629345
(2S,4S)-N-benzyl-2-methylpiperidine-4-carboxamide
CID 120616011
N-benzyl-2-methylpiperidine-4-carboxamide
CID 106738530
methyl 4-[[(2-methylpiperidine-4-carbonyl)amino]methyl]benzoate
CID 106739738
N-[(2,5-dimethoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide
CID 106739773
(2S,4S)-N-[2-(4-fluorophenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120616696
(2S,4S)-N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120632254

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[(3-fluoro-5-methoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of (2S,4S)-N-[(3-fluoro-5-methoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide;hydrochloride (CID 120641010) is (2S,4S)-N-[(3-fluoro-5-methoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4S)-N-[(3-fluoro-5-methoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for (2S,4S)-N-[(3-fluoro-5-methoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide;hydrochloride is COc1cc(F)cc(CNC(=O)[C@H]2CCN[C@@H](C)C2)c1.Cl.
What is the InChIKey of (2S,4S)-N-[(3-fluoro-5-methoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is GDTWBDMGSUTADJ-JGAZGGJJSA-N. The full InChI is InChI=1S/C15H21FN2O2.ClH/c1-10-5-12(3-4-17-10)15(19)18-9-11-6-13(16)8-14(7-11)20-2;/h6-8,10,12,17H,3-5,9H2,1-2H3,(H,18,19);1H/t10-,12-;/m0./s1.
What are the key properties of (2S,4S)-N-[(3-fluoro-5-methoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
(2S,4S)-N-[(3-fluoro-5-methoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 316.80 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[(3-fluoro-5-methoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120641010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).