(2S,4S)-2-methyl-N-(1-methyl-5-oxopyrrolidin-3-yl)piperidine-4-carboxamide

C12H21N3O2 — CID 120627814

IUPAC(2S,4S)-2-methyl-N-(1-methyl-5-oxopyrrolidin-3-yl)piperidine-4-carboxamide
SMILESC[C@H]1C[C@@H](C(=O)NC2CC(=O)N(C)C2)CCN1
InChIInChI=1S/C12H21N3O2/c1-8-5-9(3-4-13-8)12(17)14-10-6-11(16)15(2)7-10/h8-10,13H,3-7H2,1-2H3,(H,14,17)/t8-,9-,10?/m0/s1
InChIKeyMUJGEKLNOAIWDR-XMCUXHSSSA-N
MW239.32 g/mol
LogP-0.28
Rot. Bonds2

About (2S,4S)-2-methyl-N-(1-methyl-5-oxopyrrolidin-3-yl)piperidine-4-carboxamide

(2S,4S)-2-methyl-N-(1-methyl-5-oxopyrrolidin-3-yl)piperidine-4-carboxamide (PubChem CID 120627814) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is (2S,4S)-2-methyl-N-(1-methyl-5-oxopyrrolidin-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-2-methyl-N-(1-methyl-5-oxopyrrolidin-3-yl)piperidine-4-carboxamide
PubChem CID120627814
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name(2S,4S)-2-methyl-N-(1-methyl-5-oxopyrrolidin-3-yl)piperidine-4-carboxamide
SMILESC[C@H]1C[C@@H](C(=O)NC2CC(=O)N(C)C2)CCN1
InChIInChI=1S/C12H21N3O2/c1-8-5-9(3-4-13-8)12(17)14-10-6-11(16)15(2)7-10/h8-10,13H,3-7H2,1-2H3,(H,14,17)/t8-,9-,10?/m0/s1
InChIKeyMUJGEKLNOAIWDR-XMCUXHSSSA-N
XLogP-0.28
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4S)-N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2-methylpiperidine-4-carboxamide
CID 120638106
1-methyl-N-(2-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 120600934
(2S,4S)-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120633713
3-amino-N-(1-methyl-5-oxopyrrolidin-3-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119758188
3-amino-N-(1-methyl-5-oxopyrrolidin-3-yl)cyclohexane-1-carboxamide;hydrochloride
CID 119758195
(2S,4S)-2-methyl-N-(3-methylcyclobutyl)piperidine-4-carboxamide
CID 120633929
N-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]cyclopent-3-ene-1-carboxamide
CID 129370733
N-cyclohexyl-2-methylpiperidine-4-carboxamide
CID 106738484
N-(1-methyl-5-oxopyrrolidin-3-yl)-5-oxopyrrolidine-2-carboxamide
CID 110745995
(2R,3S)-2-methyl-N-(1-methyl-5-oxopyrrolidin-3-yl)morpholine-3-carboxamide
CID 120928847
N-(1-cyclopropylpiperidin-4-yl)-2-methylpiperidine-4-carboxamide
CID 106739107
N-(4-carbamoylcyclohexyl)-2-methylpiperidine-4-carboxamide
CID 106738893

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-methyl-N-(1-methyl-5-oxopyrrolidin-3-yl)piperidine-4-carboxamide?
The IUPAC name of (2S,4S)-2-methyl-N-(1-methyl-5-oxopyrrolidin-3-yl)piperidine-4-carboxamide (CID 120627814) is (2S,4S)-2-methyl-N-(1-methyl-5-oxopyrrolidin-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-2-methyl-N-(1-methyl-5-oxopyrrolidin-3-yl)piperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-2-methyl-N-(1-methyl-5-oxopyrrolidin-3-yl)piperidine-4-carboxamide is C[C@H]1C[C@@H](C(=O)NC2CC(=O)N(C)C2)CCN1.
What is the InChIKey of (2S,4S)-2-methyl-N-(1-methyl-5-oxopyrrolidin-3-yl)piperidine-4-carboxamide?
The InChIKey is MUJGEKLNOAIWDR-XMCUXHSSSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-8-5-9(3-4-13-8)12(17)14-10-6-11(16)15(2)7-10/h8-10,13H,3-7H2,1-2H3,(H,14,17)/t8-,9-,10?/m0/s1.
What are the key properties of (2S,4S)-2-methyl-N-(1-methyl-5-oxopyrrolidin-3-yl)piperidine-4-carboxamide?
(2S,4S)-2-methyl-N-(1-methyl-5-oxopyrrolidin-3-yl)piperidine-4-carboxamide has a molecular weight of 239.32 g/mol, XLogP of -0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-methyl-N-(1-methyl-5-oxopyrrolidin-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 120627814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).