(2S,4S)-2-methyl-N-[2-(morpholin-4-ylmethyl)phenyl]piperidine-4-carboxamide

C18H27N3O2 — CID 120644853

IUPAC(2S,4S)-2-methyl-N-[2-(morpholin-4-ylmethyl)phenyl]piperidine-4-carboxamide
SMILESC[C@H]1C[C@@H](C(=O)Nc2ccccc2CN2CCOCC2)CCN1
InChIInChI=1S/C18H27N3O2/c1-14-12-15(6-7-19-14)18(22)20-17-5-3-2-4-16(17)13-21-8-10-23-11-9-21/h2-5,14-15,19H,6-13H2,1H3,(H,20,22)/t14-,15-/m0/s1
InChIKeyPEKBWQROQVDTLQ-GJZGRUSLSA-N
MW317.43 g/mol
LogP1.85
Rot. Bonds4

About (2S,4S)-2-methyl-N-[2-(morpholin-4-ylmethyl)phenyl]piperidine-4-carboxamide

(2S,4S)-2-methyl-N-[2-(morpholin-4-ylmethyl)phenyl]piperidine-4-carboxamide (PubChem CID 120644853) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is (2S,4S)-2-methyl-N-[2-(morpholin-4-ylmethyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-2-methyl-N-[2-(morpholin-4-ylmethyl)phenyl]piperidine-4-carboxamide
PubChem CID120644853
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name(2S,4S)-2-methyl-N-[2-(morpholin-4-ylmethyl)phenyl]piperidine-4-carboxamide
SMILESC[C@H]1C[C@@H](C(=O)Nc2ccccc2CN2CCOCC2)CCN1
InChIInChI=1S/C18H27N3O2/c1-14-12-15(6-7-19-14)18(22)20-17-5-3-2-4-16(17)13-21-8-10-23-11-9-21/h2-5,14-15,19H,6-13H2,1H3,(H,20,22)/t14-,15-/m0/s1
InChIKeyPEKBWQROQVDTLQ-GJZGRUSLSA-N
XLogP1.85
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4S)-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-2-methylpiperidine-4-carboxamide;dihydrochloride
CID 120642921
(2S,4S)-N-(2-benzylphenyl)-2-methylpiperidine-4-carboxamide
CID 120616695
(2S,4S)-N-[2-(methoxymethyl)phenyl]-2-methylpiperidine-4-carboxamide
CID 120622248
N-[2-(morpholin-4-ylmethyl)phenyl]cyclohex-3-ene-1-carboxamide
CID 131915701
3-methyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidine-2-carboxamide
CID 102778235
(2S,4S)-2-methyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 120633399
(2S,4S)-N-(2-hydroxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120631829
(2S,4S)-2-methyl-N-[(2-morpholin-4-ylphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 120633841
(2S,4S)-2-methyl-N-[4-(2-morpholin-4-ylethyl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 120633725
N-[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-3,5-dimethylcyclohexane-1-carboxamide
CID 110026356
(2S,4S)-N-(5-bromo-2-morpholin-4-ylphenyl)-2-methylpiperidine-4-carboxamide;dihydrochloride
CID 120640206
(2S,4S)-2-methyl-N-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 120645418

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-methyl-N-[2-(morpholin-4-ylmethyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of (2S,4S)-2-methyl-N-[2-(morpholin-4-ylmethyl)phenyl]piperidine-4-carboxamide (CID 120644853) is (2S,4S)-2-methyl-N-[2-(morpholin-4-ylmethyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-2-methyl-N-[2-(morpholin-4-ylmethyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-2-methyl-N-[2-(morpholin-4-ylmethyl)phenyl]piperidine-4-carboxamide is C[C@H]1C[C@@H](C(=O)Nc2ccccc2CN2CCOCC2)CCN1.
What is the InChIKey of (2S,4S)-2-methyl-N-[2-(morpholin-4-ylmethyl)phenyl]piperidine-4-carboxamide?
The InChIKey is PEKBWQROQVDTLQ-GJZGRUSLSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-14-12-15(6-7-19-14)18(22)20-17-5-3-2-4-16(17)13-21-8-10-23-11-9-21/h2-5,14-15,19H,6-13H2,1H3,(H,20,22)/t14-,15-/m0/s1.
What are the key properties of (2S,4S)-2-methyl-N-[2-(morpholin-4-ylmethyl)phenyl]piperidine-4-carboxamide?
(2S,4S)-2-methyl-N-[2-(morpholin-4-ylmethyl)phenyl]piperidine-4-carboxamide has a molecular weight of 317.43 g/mol, XLogP of 1.85, 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-ylmethyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 120644853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).