(2S,4S)-N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2-methylpiperidine-4-carboxamide

C15H27N3O2 — CID 120638106

IUPAC(2S,4S)-N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2-methylpiperidine-4-carboxamide
SMILESC[C@H]1C[C@@H](C(=O)NC2CC(=O)N(C(C)(C)C)C2)CCN1
InChIInChI=1S/C15H27N3O2/c1-10-7-11(5-6-16-10)14(20)17-12-8-13(19)18(9-12)15(2,3)4/h10-12,16H,5-9H2,1-4H3,(H,17,20)/t10-,11-,12?/m0/s1
InChIKeySZVYIZCMGHNOHW-NDQFZYFBSA-N
MW281.40 g/mol
LogP0.89
Rot. Bonds2

About (2S,4S)-N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2-methylpiperidine-4-carboxamide

(2S,4S)-N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2-methylpiperidine-4-carboxamide (PubChem CID 120638106) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is (2S,4S)-N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2-methylpiperidine-4-carboxamide
PubChem CID120638106
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name(2S,4S)-N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2-methylpiperidine-4-carboxamide
SMILESC[C@H]1C[C@@H](C(=O)NC2CC(=O)N(C(C)(C)C)C2)CCN1
InChIInChI=1S/C15H27N3O2/c1-10-7-11(5-6-16-10)14(20)17-12-8-13(19)18(9-12)15(2,3)4/h10-12,16H,5-9H2,1-4H3,(H,17,20)/t10-,11-,12?/m0/s1
InChIKeySZVYIZCMGHNOHW-NDQFZYFBSA-N
XLogP0.89
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4S)-2-methyl-N-(1-methyl-5-oxopyrrolidin-3-yl)piperidine-4-carboxamide
CID 120627814
(2S,4S)-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120633713
N-(1-tert-butyl-5-oxopyrrolidin-3-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 119343394
(2S,4S)-2-methyl-N-(3-methylcyclobutyl)piperidine-4-carboxamide
CID 120633929
N-cyclohexyl-2-methylpiperidine-4-carboxamide
CID 106738484
1-methyl-N-(2-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 120600934
N-(1-tert-butyl-5-oxopyrrolidin-3-yl)morpholine-2-carboxamide
CID 119818298
1-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3-cyclohexylurea
CID 110749319
N-(1-cyclopropylpiperidin-4-yl)-2-methylpiperidine-4-carboxamide
CID 106739107
2-methyl-N-[4-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide
CID 106739127
(2S,4S)-2-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]piperidine-4-carboxamide
CID 120618489
N-(4-carbamoylcyclohexyl)-2-methylpiperidine-4-carboxamide
CID 106738893

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2-methylpiperidine-4-carboxamide?
The IUPAC name of (2S,4S)-N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2-methylpiperidine-4-carboxamide (CID 120638106) is (2S,4S)-N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2-methylpiperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2-methylpiperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2-methylpiperidine-4-carboxamide is C[C@H]1C[C@@H](C(=O)NC2CC(=O)N(C(C)(C)C)C2)CCN1.
What is the InChIKey of (2S,4S)-N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2-methylpiperidine-4-carboxamide?
The InChIKey is SZVYIZCMGHNOHW-NDQFZYFBSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-10-7-11(5-6-16-10)14(20)17-12-8-13(19)18(9-12)15(2,3)4/h10-12,16H,5-9H2,1-4H3,(H,17,20)/t10-,11-,12?/m0/s1.
What are the key properties of (2S,4S)-N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2-methylpiperidine-4-carboxamide?
(2S,4S)-N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2-methylpiperidine-4-carboxamide has a molecular weight of 281.40 g/mol, XLogP of 0.89, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2-methylpiperidine-4-carboxamide is sourced from PubChem (CID 120638106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).