1-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-thiophen-2-ylethanone

C14H17N3OS — CID 70718470

IUPAC1-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)N1CCCC(c2ncc[nH]2)C1
InChIInChI=1S/C14H17N3OS/c18-13(9-12-4-2-8-19-12)17-7-1-3-11(10-17)14-15-5-6-16-14/h2,4-6,8,11H,1,3,7,9-10H2,(H,15,16)
InChIKeySTDZGZVNNFYEJZ-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.42
Rot. Bonds3

About 1-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-thiophen-2-ylethanone

1-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-thiophen-2-ylethanone (PubChem CID 70718470) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 1-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-thiophen-2-ylethanone
PubChem CID70718470
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name1-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)N1CCCC(c2ncc[nH]2)C1
InChIInChI=1S/C14H17N3OS/c18-13(9-12-4-2-8-19-12)17-7-1-3-11(10-17)14-15-5-6-16-14/h2,4-6,8,11H,1,3,7,9-10H2,(H,15,16)
InChIKeySTDZGZVNNFYEJZ-UHFFFAOYSA-N
XLogP2.42
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 51725949
(3S)-3-(1H-imidazol-2-yl)-N-[(2R)-2-methyl-3-thiophen-2-ylpropyl]piperidine-1-carboxamide
CID 95967517
1-[(3R)-3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 95111120
1-[3-(1-hydroxycyclopropyl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 138380011
1-(3-pyridin-2-ylpyrrolidin-1-yl)-2-thiophen-2-ylethanone
CID 71801548
3-(1H-imidazol-2-yl)piperidine-1-carboxylic acid
CID 90026172
1-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 110106276
[3-(1H-imidazol-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 110471318
1-[(3R)-3-(aminomethyl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 28706496
2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[3-(1H-imidazol-2-yl)piperidin-1-yl]ethanone
CID 70735417
1-[3-(aminomethyl)piperidin-1-yl]-2-thiophen-2-ylethanone;hydrochloride
CID 119465007
2-[1-(2-thiophen-2-ylacetyl)piperidin-3-yl]acetic acid
CID 62690570

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-thiophen-2-ylethanone?
The IUPAC name of 1-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-thiophen-2-ylethanone (CID 70718470) is 1-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-thiophen-2-ylethanone?
The canonical SMILES for 1-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-thiophen-2-ylethanone is O=C(Cc1cccs1)N1CCCC(c2ncc[nH]2)C1.
What is the InChIKey of 1-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-thiophen-2-ylethanone?
The InChIKey is STDZGZVNNFYEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c18-13(9-12-4-2-8-19-12)17-7-1-3-11(10-17)14-15-5-6-16-14/h2,4-6,8,11H,1,3,7,9-10H2,(H,15,16).
What are the key properties of 1-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-thiophen-2-ylethanone?
1-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-thiophen-2-ylethanone has a molecular weight of 275.38 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-thiophen-2-ylethanone is sourced from PubChem (CID 70718470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).