4-methyl-N-(6-oxopiperidin-3-yl)piperidine-1-carboxamide

C12H21N3O2 — CID 78917414

IUPAC4-methyl-N-(6-oxopiperidin-3-yl)piperidine-1-carboxamide
SMILESCC1CCN(C(=O)NC2CCC(=O)NC2)CC1
InChIInChI=1S/C12H21N3O2/c1-9-4-6-15(7-5-9)12(17)14-10-2-3-11(16)13-8-10/h9-10H,2-8H2,1H3,(H,13,16)(H,14,17)
InChIKeyCRDANRSUHGUVSB-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.71
Rot. Bonds1

About 4-methyl-N-(6-oxopiperidin-3-yl)piperidine-1-carboxamide

4-methyl-N-(6-oxopiperidin-3-yl)piperidine-1-carboxamide (PubChem CID 78917414) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 4-methyl-N-(6-oxopiperidin-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(6-oxopiperidin-3-yl)piperidine-1-carboxamide
PubChem CID78917414
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name4-methyl-N-(6-oxopiperidin-3-yl)piperidine-1-carboxamide
SMILESCC1CCN(C(=O)NC2CCC(=O)NC2)CC1
InChIInChI=1S/C12H21N3O2/c1-9-4-6-15(7-5-9)12(17)14-10-2-3-11(16)13-8-10/h9-10H,2-8H2,1H3,(H,13,16)(H,14,17)
InChIKeyCRDANRSUHGUVSB-UHFFFAOYSA-N
XLogP0.71
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(6-oxopiperidin-3-yl)carbamoyl]piperidin-4-yl]acetic acid
CID 79605703
2-[4-[(6-oxopiperidin-3-yl)carbamoyl]piperazin-1-yl]acetic acid
CID 63660923
(6-oxopiperidin-3-yl)carbamic acid
CID 77299994
N-(1-acetylpiperidin-4-yl)-4-methylpiperidine-1-carboxamide
CID 47240960
1,1-dimethyl-3-(6-oxopiperidin-3-yl)urea
CID 78916658
N-(2,3-dihydro-1H-inden-2-yl)-4-methylpiperidine-1-carboxamide
CID 104694688
N-(azepan-4-yl)-4-methylpiperidine-1-carboxamide
CID 107172623
2-(methylamino)-N-(6-oxopiperidin-3-yl)propanamide
CID 63663000
2,2,2-trifluoro-N-(6-oxopiperidin-3-yl)acetamide
CID 63374613
3-methyl-N-(6-oxopiperidin-3-yl)pyrrolidine-2-carboxamide
CID 102779455
5-[(3-methylcyclobutyl)amino]piperidin-2-one
CID 104859802
4-methyl-N-[1-(2-methylpropanoyl)piperidin-4-yl]piperidine-1-carboxamide
CID 127236629

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(6-oxopiperidin-3-yl)piperidine-1-carboxamide?
The IUPAC name of 4-methyl-N-(6-oxopiperidin-3-yl)piperidine-1-carboxamide (CID 78917414) is 4-methyl-N-(6-oxopiperidin-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-methyl-N-(6-oxopiperidin-3-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-methyl-N-(6-oxopiperidin-3-yl)piperidine-1-carboxamide is CC1CCN(C(=O)NC2CCC(=O)NC2)CC1.
What is the InChIKey of 4-methyl-N-(6-oxopiperidin-3-yl)piperidine-1-carboxamide?
The InChIKey is CRDANRSUHGUVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-9-4-6-15(7-5-9)12(17)14-10-2-3-11(16)13-8-10/h9-10H,2-8H2,1H3,(H,13,16)(H,14,17).
What are the key properties of 4-methyl-N-(6-oxopiperidin-3-yl)piperidine-1-carboxamide?
4-methyl-N-(6-oxopiperidin-3-yl)piperidine-1-carboxamide has a molecular weight of 239.32 g/mol, XLogP of 0.71, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(6-oxopiperidin-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 78917414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).