(2S,4S)-2-methyl-N-[4-[2-(methylamino)-2-oxoethoxy]phenyl]piperidine-4-carboxamide

C16H23N3O3 — CID 120631270

IUPAC(2S,4S)-2-methyl-N-[4-[2-(methylamino)-2-oxoethoxy]phenyl]piperidine-4-carboxamide
SMILESCNC(=O)COc1ccc(NC(=O)[C@H]2CCN[C@@H](C)C2)cc1
InChIInChI=1S/C16H23N3O3/c1-11-9-12(7-8-18-11)16(21)19-13-3-5-14(6-4-13)22-10-15(20)17-2/h3-6,11-12,18H,7-10H2,1-2H3,(H,17,20)(H,19,21)/t11-,12-/m0/s1
InChIKeyWDHOWKFGUQJDBZ-RYUDHWBXSA-N
MW305.38 g/mol
LogP1.14
Rot. Bonds5

About (2S,4S)-2-methyl-N-[4-[2-(methylamino)-2-oxoethoxy]phenyl]piperidine-4-carboxamide

(2S,4S)-2-methyl-N-[4-[2-(methylamino)-2-oxoethoxy]phenyl]piperidine-4-carboxamide (PubChem CID 120631270) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is (2S,4S)-2-methyl-N-[4-[2-(methylamino)-2-oxoethoxy]phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-2-methyl-N-[4-[2-(methylamino)-2-oxoethoxy]phenyl]piperidine-4-carboxamide
PubChem CID120631270
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name(2S,4S)-2-methyl-N-[4-[2-(methylamino)-2-oxoethoxy]phenyl]piperidine-4-carboxamide
SMILESCNC(=O)COc1ccc(NC(=O)[C@H]2CCN[C@@H](C)C2)cc1
InChIInChI=1S/C16H23N3O3/c1-11-9-12(7-8-18-11)16(21)19-13-3-5-14(6-4-13)22-10-15(20)17-2/h3-6,11-12,18H,7-10H2,1-2H3,(H,17,20)(H,19,21)/t11-,12-/m0/s1
InChIKeyWDHOWKFGUQJDBZ-RYUDHWBXSA-N
XLogP1.14
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4S)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120621065
(2S,4S)-2-methyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]piperidine-4-carboxamide;hydrochloride
CID 120619364
(2S,4S)-N-[4-(cyclopropanecarbonylamino)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120619530
(2S,4S)-2-methyl-N-[4-(methylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 120632144
methyl N-[4-[(2-methylpiperidine-4-carbonyl)amino]phenyl]carbamate
CID 106739126
(2S,4S)-N-(4-butan-2-yloxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120624355
N-(4-cyanophenyl)-2-methylpiperidine-4-carboxamide
CID 106738623
(2S,4S)-N-[4-(difluoromethoxy)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120616787
(2S,4S)-N-[4-(4-methoxyphenyl)sulfanylphenyl]-2-methylpiperidine-4-carboxamide
CID 120630872
methyl 4-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]benzoate
CID 120616157
(1S,2R,5R)-N-[4-[2-(methylamino)-2-oxoethoxy]phenyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 167886804
(2S,4S)-2-methyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 120616359

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-methyl-N-[4-[2-(methylamino)-2-oxoethoxy]phenyl]piperidine-4-carboxamide?
The IUPAC name of (2S,4S)-2-methyl-N-[4-[2-(methylamino)-2-oxoethoxy]phenyl]piperidine-4-carboxamide (CID 120631270) is (2S,4S)-2-methyl-N-[4-[2-(methylamino)-2-oxoethoxy]phenyl]piperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-2-methyl-N-[4-[2-(methylamino)-2-oxoethoxy]phenyl]piperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-2-methyl-N-[4-[2-(methylamino)-2-oxoethoxy]phenyl]piperidine-4-carboxamide is CNC(=O)COc1ccc(NC(=O)[C@H]2CCN[C@@H](C)C2)cc1.
What is the InChIKey of (2S,4S)-2-methyl-N-[4-[2-(methylamino)-2-oxoethoxy]phenyl]piperidine-4-carboxamide?
The InChIKey is WDHOWKFGUQJDBZ-RYUDHWBXSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-11-9-12(7-8-18-11)16(21)19-13-3-5-14(6-4-13)22-10-15(20)17-2/h3-6,11-12,18H,7-10H2,1-2H3,(H,17,20)(H,19,21)/t11-,12-/m0/s1.
What are the key properties of (2S,4S)-2-methyl-N-[4-[2-(methylamino)-2-oxoethoxy]phenyl]piperidine-4-carboxamide?
(2S,4S)-2-methyl-N-[4-[2-(methylamino)-2-oxoethoxy]phenyl]piperidine-4-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 1.14, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-methyl-N-[4-[2-(methylamino)-2-oxoethoxy]phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 120631270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).