1-[2-[3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]-2-oxoethyl]piperidin-2-one

C17H24N4O3 — CID 45189605

IUPAC1-[2-[3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]-2-oxoethyl]piperidin-2-one
SMILESCn1ccnc1C(=O)C1CCCN(C(=O)CN2CCCCC2=O)C1
InChIInChI=1S/C17H24N4O3/c1-19-10-7-18-17(19)16(24)13-5-4-9-20(11-13)15(23)12-21-8-3-2-6-14(21)22/h7,10,13H,2-6,8-9,11-12H2,1H3
InChIKeyZTCYTAZJCCTEKW-UHFFFAOYSA-N
MW332.40 g/mol
LogP0.85
Rot. Bonds4

About 1-[2-[3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]-2-oxoethyl]piperidin-2-one

1-[2-[3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]-2-oxoethyl]piperidin-2-one (PubChem CID 45189605) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 1-[2-[3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]-2-oxoethyl]piperidin-2-one.

Molecular Properties

Compound Name1-[2-[3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]-2-oxoethyl]piperidin-2-one
PubChem CID45189605
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name1-[2-[3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]-2-oxoethyl]piperidin-2-one
SMILESCn1ccnc1C(=O)C1CCCN(C(=O)CN2CCCCC2=O)C1
InChIInChI=1S/C17H24N4O3/c1-19-10-7-18-17(19)16(24)13-5-4-9-20(11-13)15(23)12-21-8-3-2-6-14(21)22/h7,10,13H,2-6,8-9,11-12H2,1H3
InChIKeyZTCYTAZJCCTEKW-UHFFFAOYSA-N
XLogP0.85
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4,6-dimethyl-1-[2-[(3S)-3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]-2-oxoethyl]pyrimidin-2-one
CID 96575005
1-[3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]ethanone
CID 45222283
1-[2-[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-2-oxoethyl]azepan-2-one
CID 97272208
1-[3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]-2-thiophen-3-ylethanone
CID 70736283
1-[3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 70772543
2,4-dimethyl-5-[2-[(3R)-3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one
CID 136764566
(3R)-N-(cyclohexylmethyl)-3-(1-methylimidazole-2-carbonyl)piperidine-1-carboxamide
CID 126453049
1-[2-[(3R)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]azepan-2-one
CID 124997145
N-[1-[2-[3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]benzamide
CID 45206511
N-[1-[2-[(3R)-3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]benzamide
CID 42483213
ethyl 1-[2-(2-oxopiperidin-1-yl)acetyl]piperidine-3-carboxylate
CID 110689806
1-[2-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-2-oxoethyl]azepan-2-one
CID 110104109

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]-2-oxoethyl]piperidin-2-one?
The IUPAC name of 1-[2-[3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]-2-oxoethyl]piperidin-2-one (CID 45189605) is 1-[2-[3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]-2-oxoethyl]piperidin-2-one.
What is the SMILES notation for 1-[2-[3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]-2-oxoethyl]piperidin-2-one?
The canonical SMILES for 1-[2-[3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]-2-oxoethyl]piperidin-2-one is Cn1ccnc1C(=O)C1CCCN(C(=O)CN2CCCCC2=O)C1.
What is the InChIKey of 1-[2-[3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]-2-oxoethyl]piperidin-2-one?
The InChIKey is ZTCYTAZJCCTEKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-19-10-7-18-17(19)16(24)13-5-4-9-20(11-13)15(23)12-21-8-3-2-6-14(21)22/h7,10,13H,2-6,8-9,11-12H2,1H3.
What are the key properties of 1-[2-[3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]-2-oxoethyl]piperidin-2-one?
1-[2-[3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]-2-oxoethyl]piperidin-2-one has a molecular weight of 332.40 g/mol, XLogP of 0.85, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]-2-oxoethyl]piperidin-2-one is sourced from PubChem (CID 45189605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).