(2S,4S)-2-methyl-N-[(2-morpholin-4-ylphenyl)methyl]piperidine-4-carboxamide;hydrochloride

C18H28ClN3O2 — CID 120633841

IUPAC(2S,4S)-2-methyl-N-[(2-morpholin-4-ylphenyl)methyl]piperidine-4-carboxamide;hydrochloride
SMILESC[C@H]1C[C@@H](C(=O)NCc2ccccc2N2CCOCC2)CCN1.Cl
InChIInChI=1S/C18H27N3O2.ClH/c1-14-12-15(6-7-19-14)18(22)20-13-16-4-2-3-5-17(16)21-8-10-23-11-9-21;/h2-5,14-15,19H,6-13H2,1H3,(H,20,22);1H/t14-,15-;/m0./s1
InChIKeyNXAUQPCJSKBRBC-YYLIZZNMSA-N
MW353.89 g/mol
LogP1.95
Rot. Bonds4

About (2S,4S)-2-methyl-N-[(2-morpholin-4-ylphenyl)methyl]piperidine-4-carboxamide;hydrochloride

(2S,4S)-2-methyl-N-[(2-morpholin-4-ylphenyl)methyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 120633841) has the molecular formula C18H28ClN3O2 and a molecular weight of 353.89 g/mol. Its IUPAC name is (2S,4S)-2-methyl-N-[(2-morpholin-4-ylphenyl)methyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-2-methyl-N-[(2-morpholin-4-ylphenyl)methyl]piperidine-4-carboxamide;hydrochloride
PubChem CID120633841
Molecular FormulaC18H28ClN3O2
Molecular Weight353.89 g/mol
Exact Mass353.19
IUPAC Name(2S,4S)-2-methyl-N-[(2-morpholin-4-ylphenyl)methyl]piperidine-4-carboxamide;hydrochloride
SMILESC[C@H]1C[C@@H](C(=O)NCc2ccccc2N2CCOCC2)CCN1.Cl
InChIInChI=1S/C18H27N3O2.ClH/c1-14-12-15(6-7-19-14)18(22)20-13-16-4-2-3-5-17(16)21-8-10-23-11-9-21;/h2-5,14-15,19H,6-13H2,1H3,(H,20,22);1H/t14-,15-;/m0./s1
InChIKeyNXAUQPCJSKBRBC-YYLIZZNMSA-N
XLogP1.95
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.89
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-morpholin-4-ylphenyl)methyl]pyrrolidine-2-carboxamide
CID 119853783
(2S,4S)-N-[(2-fluorophenyl)methyl]-2-methylpiperidine-4-carboxamide
CID 120617128
(2S,4S)-2-methyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 120633399
N-[(2-morpholin-4-ylphenyl)methyl]morpholine-3-carboxamide
CID 119853743
N-[(2-morpholin-4-ylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110445215
N-[[2-(methoxymethyl)phenyl]methyl]-2-methylpiperidine-4-carboxamide
CID 106739192
(2S,4S)-N-[(2-methoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide
CID 120616660
(2S,4S)-N-[[2-(diethylaminomethyl)phenyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120631658
(2S,4S)-2-methyl-N-[2-(morpholin-4-ylmethyl)phenyl]piperidine-4-carboxamide
CID 120644853
3-[(2-morpholin-4-ylphenyl)methylcarbamoylamino]-N-propan-2-ylcyclohexane-1-carboxamide
CID 86962818
2-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide
CID 47400471
(2S,4S)-N-benzyl-2-methylpiperidine-4-carboxamide
CID 120616011

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-methyl-N-[(2-morpholin-4-ylphenyl)methyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of (2S,4S)-2-methyl-N-[(2-morpholin-4-ylphenyl)methyl]piperidine-4-carboxamide;hydrochloride (CID 120633841) is (2S,4S)-2-methyl-N-[(2-morpholin-4-ylphenyl)methyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4S)-2-methyl-N-[(2-morpholin-4-ylphenyl)methyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for (2S,4S)-2-methyl-N-[(2-morpholin-4-ylphenyl)methyl]piperidine-4-carboxamide;hydrochloride is C[C@H]1C[C@@H](C(=O)NCc2ccccc2N2CCOCC2)CCN1.Cl.
What is the InChIKey of (2S,4S)-2-methyl-N-[(2-morpholin-4-ylphenyl)methyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is NXAUQPCJSKBRBC-YYLIZZNMSA-N. The full InChI is InChI=1S/C18H27N3O2.ClH/c1-14-12-15(6-7-19-14)18(22)20-13-16-4-2-3-5-17(16)21-8-10-23-11-9-21;/h2-5,14-15,19H,6-13H2,1H3,(H,20,22);1H/t14-,15-;/m0./s1.
What are the key properties of (2S,4S)-2-methyl-N-[(2-morpholin-4-ylphenyl)methyl]piperidine-4-carboxamide;hydrochloride?
(2S,4S)-2-methyl-N-[(2-morpholin-4-ylphenyl)methyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 353.89 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-methyl-N-[(2-morpholin-4-ylphenyl)methyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120633841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).