(2S,4S)-N-[2-(4-hydroxypiperidin-1-yl)phenyl]-2-methylpiperidine-4-carboxamide;dihydrochloride

C18H29Cl2N3O2 — CID 120644886

IUPAC(2S,4S)-N-[2-(4-hydroxypiperidin-1-yl)phenyl]-2-methylpiperidine-4-carboxamide;dihydrochloride
SMILESC[C@H]1C[C@@H](C(=O)Nc2ccccc2N2CCC(O)CC2)CCN1.Cl.Cl
InChIInChI=1S/C18H27N3O2.2ClH/c1-13-12-14(6-9-19-13)18(23)20-16-4-2-3-5-17(16)21-10-7-15(22)8-11-21;;/h2-5,13-15,19,22H,6-12H2,1H3,(H,20,23);2*1H/t13-,14-;;/m0../s1
InChIKeyOQFRVYPHARJOOX-AXEKQOJOSA-N
MW390.36 g/mol
LogP2.82
Rot. Bonds3

About (2S,4S)-N-[2-(4-hydroxypiperidin-1-yl)phenyl]-2-methylpiperidine-4-carboxamide;dihydrochloride

(2S,4S)-N-[2-(4-hydroxypiperidin-1-yl)phenyl]-2-methylpiperidine-4-carboxamide;dihydrochloride (PubChem CID 120644886) has the molecular formula C18H29Cl2N3O2 and a molecular weight of 390.36 g/mol. Its IUPAC name is (2S,4S)-N-[2-(4-hydroxypiperidin-1-yl)phenyl]-2-methylpiperidine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name(2S,4S)-N-[2-(4-hydroxypiperidin-1-yl)phenyl]-2-methylpiperidine-4-carboxamide;dihydrochloride
PubChem CID120644886
Molecular FormulaC18H29Cl2N3O2
Molecular Weight390.36 g/mol
Exact Mass389.16
IUPAC Name(2S,4S)-N-[2-(4-hydroxypiperidin-1-yl)phenyl]-2-methylpiperidine-4-carboxamide;dihydrochloride
SMILESC[C@H]1C[C@@H](C(=O)Nc2ccccc2N2CCC(O)CC2)CCN1.Cl.Cl
InChIInChI=1S/C18H27N3O2.2ClH/c1-13-12-14(6-9-19-13)18(23)20-16-4-2-3-5-17(16)21-10-7-15(22)8-11-21;;/h2-5,13-15,19,22H,6-12H2,1H3,(H,20,23);2*1H/t13-,14-;;/m0../s1
InChIKeyOQFRVYPHARJOOX-AXEKQOJOSA-N
XLogP2.82
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.36
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S,4S)-N-[2-(4-hydroxypiperidin-1-yl)phenyl]-2-methylpiperidine-4-carboxamide;dihydrochloride 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-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-2-methylpiperidine-4-carboxamide
CID 120633562
(2S,4S)-N-(2-hydroxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120631829
N-[2-(4-hydroxypiperidin-1-yl)phenyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 111537095
(2S,4S)-2-methyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide;dihydrochloride
CID 120639496
(2S,4S)-N-(5-bromo-2-morpholin-4-ylphenyl)-2-methylpiperidine-4-carboxamide;dihydrochloride
CID 120640206
1-N,3-N-bis(2-pyrrolidin-1-ylphenyl)cyclohexane-1,3-dicarboxamide
CID 60596479
(2S,4S)-N-[2-(tert-butylcarbamoyl)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120620334
(2S,4S)-N-(3-fluoro-2-methylphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120620625
(2S,4S)-N-(2-cyclopentylsulfanylphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120622975
(2S,4S)-N-(2-benzylphenyl)-2-methylpiperidine-4-carboxamide
CID 120616695
(2S,4S)-N-[2-(methoxymethyl)phenyl]-2-methylpiperidine-4-carboxamide
CID 120622248
(2S,4S)-2-methyl-N-[2-(trifluoromethylsulfanyl)phenyl]piperidine-4-carboxamide
CID 120620303

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[2-(4-hydroxypiperidin-1-yl)phenyl]-2-methylpiperidine-4-carboxamide;dihydrochloride?
The IUPAC name of (2S,4S)-N-[2-(4-hydroxypiperidin-1-yl)phenyl]-2-methylpiperidine-4-carboxamide;dihydrochloride (CID 120644886) is (2S,4S)-N-[2-(4-hydroxypiperidin-1-yl)phenyl]-2-methylpiperidine-4-carboxamide;dihydrochloride.
What is the SMILES notation for (2S,4S)-N-[2-(4-hydroxypiperidin-1-yl)phenyl]-2-methylpiperidine-4-carboxamide;dihydrochloride?
The canonical SMILES for (2S,4S)-N-[2-(4-hydroxypiperidin-1-yl)phenyl]-2-methylpiperidine-4-carboxamide;dihydrochloride is C[C@H]1C[C@@H](C(=O)Nc2ccccc2N2CCC(O)CC2)CCN1.Cl.Cl.
What is the InChIKey of (2S,4S)-N-[2-(4-hydroxypiperidin-1-yl)phenyl]-2-methylpiperidine-4-carboxamide;dihydrochloride?
The InChIKey is OQFRVYPHARJOOX-AXEKQOJOSA-N. The full InChI is InChI=1S/C18H27N3O2.2ClH/c1-13-12-14(6-9-19-13)18(23)20-16-4-2-3-5-17(16)21-10-7-15(22)8-11-21;;/h2-5,13-15,19,22H,6-12H2,1H3,(H,20,23);2*1H/t13-,14-;;/m0../s1.
What are the key properties of (2S,4S)-N-[2-(4-hydroxypiperidin-1-yl)phenyl]-2-methylpiperidine-4-carboxamide;dihydrochloride?
(2S,4S)-N-[2-(4-hydroxypiperidin-1-yl)phenyl]-2-methylpiperidine-4-carboxamide;dihydrochloride has a molecular weight of 390.36 g/mol, XLogP of 2.82, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[2-(4-hydroxypiperidin-1-yl)phenyl]-2-methylpiperidine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 120644886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).