4-methyl-N-(2-oxopiperidin-3-yl)piperidine-4-carboxamide

C12H21N3O2 — CID 55176788

IUPAC4-methyl-N-(2-oxopiperidin-3-yl)piperidine-4-carboxamide
SMILESCC1(C(=O)NC2CCCNC2=O)CCNCC1
InChIInChI=1S/C12H21N3O2/c1-12(4-7-13-8-5-12)11(17)15-9-3-2-6-14-10(9)16/h9,13H,2-8H2,1H3,(H,14,16)(H,15,17)
InChIKeyXLTGQEMSTHQXIC-UHFFFAOYSA-N
MW239.32 g/mol
LogP-0.23
Rot. Bonds2

About 4-methyl-N-(2-oxopiperidin-3-yl)piperidine-4-carboxamide

4-methyl-N-(2-oxopiperidin-3-yl)piperidine-4-carboxamide (PubChem CID 55176788) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 4-methyl-N-(2-oxopiperidin-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(2-oxopiperidin-3-yl)piperidine-4-carboxamide
PubChem CID55176788
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name4-methyl-N-(2-oxopiperidin-3-yl)piperidine-4-carboxamide
SMILESCC1(C(=O)NC2CCCNC2=O)CCNCC1
InChIInChI=1S/C12H21N3O2/c1-12(4-7-13-8-5-12)11(17)15-9-3-2-6-14-10(9)16/h9,13H,2-8H2,1H3,(H,14,16)(H,15,17)
InChIKeyXLTGQEMSTHQXIC-UHFFFAOYSA-N
XLogP-0.23
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-N-(2-oxoazepan-3-yl)piperidine-4-carboxamide
CID 119708546
4-methyl-N-(6-methylidene-2-oxopiperidin-3-yl)piperidine-4-carboxamide
CID 167647100
1-amino-N-(2-oxopiperidin-3-yl)cyclopropane-1-carboxamide
CID 65466237
1-amino-N-(2-oxopiperidin-3-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119307987
N-(2-oxoazepan-3-yl)-3-propylpyrrolidine-3-carboxamide
CID 55164946
1-carbamothioyl-N-(2-oxopiperidin-3-yl)cyclopentane-1-carboxamide
CID 55037601
2-bromo-N-(2-oxopiperidin-3-yl)butanamide
CID 62856171
1-amino-N-(2-oxoazepan-3-yl)cyclohexane-1-carboxamide
CID 43704094
(2S)-2-hydroxy-N-(2-oxopiperidin-3-yl)propanamide
CID 130978731
3-amino-2,2,3-trimethyl-N-(2-oxopiperidin-3-yl)butanamide
CID 65266745
1-(aminomethyl)-N-(2-oxoazepan-3-yl)cyclobutane-1-carboxamide
CID 115447574
6-amino-7,7-dimethyl-N-(2-oxopiperidin-3-yl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114945924

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-oxopiperidin-3-yl)piperidine-4-carboxamide?
The IUPAC name of 4-methyl-N-(2-oxopiperidin-3-yl)piperidine-4-carboxamide (CID 55176788) is 4-methyl-N-(2-oxopiperidin-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for 4-methyl-N-(2-oxopiperidin-3-yl)piperidine-4-carboxamide?
The canonical SMILES for 4-methyl-N-(2-oxopiperidin-3-yl)piperidine-4-carboxamide is CC1(C(=O)NC2CCCNC2=O)CCNCC1.
What is the InChIKey of 4-methyl-N-(2-oxopiperidin-3-yl)piperidine-4-carboxamide?
The InChIKey is XLTGQEMSTHQXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-12(4-7-13-8-5-12)11(17)15-9-3-2-6-14-10(9)16/h9,13H,2-8H2,1H3,(H,14,16)(H,15,17).
What are the key properties of 4-methyl-N-(2-oxopiperidin-3-yl)piperidine-4-carboxamide?
4-methyl-N-(2-oxopiperidin-3-yl)piperidine-4-carboxamide has a molecular weight of 239.32 g/mol, XLogP of -0.23, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-oxopiperidin-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 55176788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).