(2S,4S)-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-2-methylpiperidine-4-carboxamide;hydrochloride

C19H29ClFN3O — CID 120636999

IUPAC(2S,4S)-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESCc1cc(F)ccc1N1CCCC(NC(=O)[C@H]2CCN[C@@H](C)C2)C1.Cl
InChIInChI=1S/C19H28FN3O.ClH/c1-13-10-16(20)5-6-18(13)23-9-3-4-17(12-23)22-19(24)15-7-8-21-14(2)11-15;/h5-6,10,14-15,17,21H,3-4,7-9,11-12H2,1-2H3,(H,22,24);1H/t14-,15-,17?;/m0./s1
InChIKeyBXSKTWQHSXFLHQ-NEFPWCPUSA-N
MW369.91 g/mol
LogP3.03
Rot. Bonds3

About (2S,4S)-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-2-methylpiperidine-4-carboxamide;hydrochloride

(2S,4S)-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-2-methylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120636999) has the molecular formula C19H29ClFN3O and a molecular weight of 369.91 g/mol. Its IUPAC name is (2S,4S)-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-2-methylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
PubChem CID120636999
Molecular FormulaC19H29ClFN3O
Molecular Weight369.91 g/mol
Exact Mass369.20
IUPAC Name(2S,4S)-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESCc1cc(F)ccc1N1CCCC(NC(=O)[C@H]2CCN[C@@H](C)C2)C1.Cl
InChIInChI=1S/C19H28FN3O.ClH/c1-13-10-16(20)5-6-18(13)23-9-3-4-17(12-23)22-19(24)15-7-8-21-14(2)11-15;/h5-6,10,14-15,17,21H,3-4,7-9,11-12H2,1-2H3,(H,22,24);1H/t14-,15-,17?;/m0./s1
InChIKeyBXSKTWQHSXFLHQ-NEFPWCPUSA-N
XLogP3.03
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.91
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S,4S)-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-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

2-amino-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-2-methylpropanamide;dihydrochloride
CID 119883913
(2R)-2-amino-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]propanamide
CID 119883938
2-amino-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]acetamide
CID 119883950
(2S,4S)-N-[1-(3-methoxyphenyl)piperidin-3-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120636997
N-[(3R)-1-(4-fluoro-2-methylphenyl)piperidin-3-yl]thiadiazole-5-carboxamide
CID 124565601
2-amino-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120670287
N-[(3R)-1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide
CID 95629403
2-amino-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-2-phenylpropanamide
CID 120596808
1-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-3-(5-hydroxypentan-2-yl)urea
CID 71921543
1-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-3-(2-methyl-1,2,4-triazol-3-yl)urea
CID 136520325
(2S,4S)-N-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120635297
1-[(3S)-1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-3-[(2S)-4-hydroxy-2-methylbutyl]urea
CID 95936376

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of (2S,4S)-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-2-methylpiperidine-4-carboxamide;hydrochloride (CID 120636999) is (2S,4S)-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-2-methylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4S)-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for (2S,4S)-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-2-methylpiperidine-4-carboxamide;hydrochloride is Cc1cc(F)ccc1N1CCCC(NC(=O)[C@H]2CCN[C@@H](C)C2)C1.Cl.
What is the InChIKey of (2S,4S)-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is BXSKTWQHSXFLHQ-NEFPWCPUSA-N. The full InChI is InChI=1S/C19H28FN3O.ClH/c1-13-10-16(20)5-6-18(13)23-9-3-4-17(12-23)22-19(24)15-7-8-21-14(2)11-15;/h5-6,10,14-15,17,21H,3-4,7-9,11-12H2,1-2H3,(H,22,24);1H/t14-,15-,17?;/m0./s1.
What are the key properties of (2S,4S)-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-2-methylpiperidine-4-carboxamide;hydrochloride?
(2S,4S)-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-2-methylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 369.91 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-2-methylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120636999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).