4-methyl-N-(6-methylidene-2-oxopiperidin-3-yl)piperidine-4-carboxamide

C13H21N3O2 — CID 167647100

IUPAC4-methyl-N-(6-methylidene-2-oxopiperidin-3-yl)piperidine-4-carboxamide
SMILESC=C1CCC(NC(=O)C2(C)CCNCC2)C(=O)N1
InChIInChI=1S/C13H21N3O2/c1-9-3-4-10(11(17)15-9)16-12(18)13(2)5-7-14-8-6-13/h10,14H,1,3-8H2,2H3,(H,15,17)(H,16,18)
InChIKeyQNSGSTHTNQYHCC-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.28
Rot. Bonds2

About 4-methyl-N-(6-methylidene-2-oxopiperidin-3-yl)piperidine-4-carboxamide

4-methyl-N-(6-methylidene-2-oxopiperidin-3-yl)piperidine-4-carboxamide (PubChem CID 167647100) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-methyl-N-(6-methylidene-2-oxopiperidin-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(6-methylidene-2-oxopiperidin-3-yl)piperidine-4-carboxamide
PubChem CID167647100
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name4-methyl-N-(6-methylidene-2-oxopiperidin-3-yl)piperidine-4-carboxamide
SMILESC=C1CCC(NC(=O)C2(C)CCNCC2)C(=O)N1
InChIInChI=1S/C13H21N3O2/c1-9-3-4-10(11(17)15-9)16-12(18)13(2)5-7-14-8-6-13/h10,14H,1,3-8H2,2H3,(H,15,17)(H,16,18)
InChIKeyQNSGSTHTNQYHCC-UHFFFAOYSA-N
XLogP0.28
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-(2-oxopiperidin-3-yl)piperidine-4-carboxamide
CID 55176788
1-methyl-N-[(1S)-2-oxocyclobutyl]cyclohexane-1-carboxamide
CID 149031374
N-(4-aminocyclohexyl)-4-methylpiperidine-4-carboxamide
CID 63123013
N-(4-ethylcyclohexyl)-4-methylpiperidine-4-carboxamide
CID 63122348
1-methyl-2-[(4-methylpiperidine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 83213709
N-(3-hydroxycyclohexyl)-4-methylpiperidine-4-carboxamide
CID 55179480
5-chloro-2-(methylamino)-N-(6-methylidene-2-oxopiperidin-3-yl)thiophene-3-carboxamide
CID 156745004
4-methyl-N-(3-methylsulfanylcyclopentyl)piperidine-4-carboxamide
CID 103840375
4-methyl-N-(4-propylcyclohexyl)piperidine-4-carboxamide
CID 63122402
3-tert-butyl-N-(2,6-dioxopiperidin-3-yl)bicyclo[1.1.1]pentane-1-carboxamide
CID 170777735
1-methyl-N-[(3S)-pyrrolidin-3-yl]cyclobutane-1-carboxamide
CID 166176322
4-methoxy-N-(2-oxoazepan-3-yl)piperidine-4-carboxamide
CID 119708546

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(6-methylidene-2-oxopiperidin-3-yl)piperidine-4-carboxamide?
The IUPAC name of 4-methyl-N-(6-methylidene-2-oxopiperidin-3-yl)piperidine-4-carboxamide (CID 167647100) is 4-methyl-N-(6-methylidene-2-oxopiperidin-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for 4-methyl-N-(6-methylidene-2-oxopiperidin-3-yl)piperidine-4-carboxamide?
The canonical SMILES for 4-methyl-N-(6-methylidene-2-oxopiperidin-3-yl)piperidine-4-carboxamide is C=C1CCC(NC(=O)C2(C)CCNCC2)C(=O)N1.
What is the InChIKey of 4-methyl-N-(6-methylidene-2-oxopiperidin-3-yl)piperidine-4-carboxamide?
The InChIKey is QNSGSTHTNQYHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-9-3-4-10(11(17)15-9)16-12(18)13(2)5-7-14-8-6-13/h10,14H,1,3-8H2,2H3,(H,15,17)(H,16,18).
What are the key properties of 4-methyl-N-(6-methylidene-2-oxopiperidin-3-yl)piperidine-4-carboxamide?
4-methyl-N-(6-methylidene-2-oxopiperidin-3-yl)piperidine-4-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 0.28, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(6-methylidene-2-oxopiperidin-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 167647100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).