1-[3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]-2-thiophen-3-ylethanone

C16H19N3O2S — CID 70736283

IUPAC1-[3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]-2-thiophen-3-ylethanone
SMILESCn1ccnc1C(=O)C1CCCN(C(=O)Cc2ccsc2)C1
InChIInChI=1S/C16H19N3O2S/c1-18-7-5-17-16(18)15(21)13-3-2-6-19(10-13)14(20)9-12-4-8-22-11-12/h4-5,7-8,11,13H,2-3,6,9-10H2,1H3
InChIKeyYQNZPUUWGNHESI-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.15
Rot. Bonds4

About 1-[3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]-2-thiophen-3-ylethanone

1-[3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]-2-thiophen-3-ylethanone (PubChem CID 70736283) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is 1-[3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]-2-thiophen-3-ylethanone.

Molecular Properties

Compound Name1-[3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]-2-thiophen-3-ylethanone
PubChem CID70736283
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC Name1-[3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]-2-thiophen-3-ylethanone
SMILESCn1ccnc1C(=O)C1CCCN(C(=O)Cc2ccsc2)C1
InChIInChI=1S/C16H19N3O2S/c1-18-7-5-17-16(18)15(21)13-3-2-6-19(10-13)14(20)9-12-4-8-22-11-12/h4-5,7-8,11,13H,2-3,6,9-10H2,1H3
InChIKeyYQNZPUUWGNHESI-UHFFFAOYSA-N
XLogP2.15
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 70772543
(3R)-1-(2-thiophen-3-ylacetyl)piperidine-3-carboxamide
CID 94164984
N'-hydroxy-1-(2-thiophen-3-ylacetyl)piperidine-3-carboximidamide
CID 77041855
2,4-dimethyl-5-[2-[(3R)-3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one
CID 136764566
1-(azocan-1-yl)-2-thiophen-3-ylethanone
CID 112769654
1-[2-[3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]-2-oxoethyl]piperidin-2-one
CID 45189605
1-[(3S)-3-hydroxypiperidin-1-yl]-2-thiophen-3-ylethanone
CID 71649381
(3R)-N-(cyclohexylmethyl)-3-(1-methylimidazole-2-carbonyl)piperidine-1-carboxamide
CID 126453049
1-[(3R)-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-2-thiophen-3-ylethanone
CID 29181741
N-[(4-methoxyphenyl)methyl]-3-(1-methylimidazole-2-carbonyl)piperidine-1-carboxamide
CID 119061153
[1-[3-(3-hydroxy-3-methylbutyl)benzoyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone
CID 70786107
[1-(2H-benzotriazole-5-carbonyl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanone
CID 70742832

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]-2-thiophen-3-ylethanone?
The IUPAC name of 1-[3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]-2-thiophen-3-ylethanone (CID 70736283) is 1-[3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]-2-thiophen-3-ylethanone.
What is the SMILES notation for 1-[3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]-2-thiophen-3-ylethanone?
The canonical SMILES for 1-[3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]-2-thiophen-3-ylethanone is Cn1ccnc1C(=O)C1CCCN(C(=O)Cc2ccsc2)C1.
What is the InChIKey of 1-[3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]-2-thiophen-3-ylethanone?
The InChIKey is YQNZPUUWGNHESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-18-7-5-17-16(18)15(21)13-3-2-6-19(10-13)14(20)9-12-4-8-22-11-12/h4-5,7-8,11,13H,2-3,6,9-10H2,1H3.
What are the key properties of 1-[3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]-2-thiophen-3-ylethanone?
1-[3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]-2-thiophen-3-ylethanone has a molecular weight of 317.41 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]-2-thiophen-3-ylethanone is sourced from PubChem (CID 70736283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).