5-[(3S)-3-imidazol-1-ylpiperidine-1-carbonyl]thiophene-2-carboxamide

C14H16N4O2S — CID 95319281

IUPAC5-[(3S)-3-imidazol-1-ylpiperidine-1-carbonyl]thiophene-2-carboxamide
SMILESNC(=O)c1ccc(C(=O)N2CCC[C@H](n3ccnc3)C2)s1
InChIInChI=1S/C14H16N4O2S/c15-13(19)11-3-4-12(21-11)14(20)17-6-1-2-10(8-17)18-7-5-16-9-18/h3-5,7,9-10H,1-2,6,8H2,(H2,15,19)/t10-/m0/s1
InChIKeyMTYJQQMMAYCFJK-JTQLQIEISA-N
MW304.38 g/mol
LogP1.52
Rot. Bonds3

About 5-[(3S)-3-imidazol-1-ylpiperidine-1-carbonyl]thiophene-2-carboxamide

5-[(3S)-3-imidazol-1-ylpiperidine-1-carbonyl]thiophene-2-carboxamide (PubChem CID 95319281) has the molecular formula C14H16N4O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is 5-[(3S)-3-imidazol-1-ylpiperidine-1-carbonyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[(3S)-3-imidazol-1-ylpiperidine-1-carbonyl]thiophene-2-carboxamide
PubChem CID95319281
Molecular FormulaC14H16N4O2S
Molecular Weight304.38 g/mol
Exact Mass304.10
IUPAC Name5-[(3S)-3-imidazol-1-ylpiperidine-1-carbonyl]thiophene-2-carboxamide
SMILESNC(=O)c1ccc(C(=O)N2CCC[C@H](n3ccnc3)C2)s1
InChIInChI=1S/C14H16N4O2S/c15-13(19)11-3-4-12(21-11)14(20)17-6-1-2-10(8-17)18-7-5-16-9-18/h3-5,7,9-10H,1-2,6,8H2,(H2,15,19)/t10-/m0/s1
InChIKeyMTYJQQMMAYCFJK-JTQLQIEISA-N
XLogP1.52
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3S)-3-imidazol-1-ylpiperidine-1-carbonyl]benzamide
CID 95569094
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[(3S)-3-imidazol-1-ylpiperidin-1-yl]methanone
CID 95314051
[2-(furan-2-yl)-1,3-thiazol-5-yl]-[(3R)-3-imidazol-1-ylpiperidin-1-yl]methanone
CID 95341522
5-[(3R)-3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]thiophene-2-carboxamide
CID 95287275
(3-cyclopropylthiophen-2-yl)-[(3S)-3-imidazol-1-ylpiperidin-1-yl]methanone
CID 95340985
[(3R)-3-imidazol-1-ylpiperidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
CID 95314596
2,3-dihydro-1,4-benzodioxin-6-yl-[(3S)-3-imidazol-1-ylpiperidin-1-yl]methanone
CID 95312405
[(3S)-3-imidazol-1-ylpiperidin-1-yl]-(6-methylthieno[3,2-b]thiophen-5-yl)methanone
CID 95312825
imidazo[1,2-a]pyridin-2-yl-[(3R)-3-imidazol-1-ylpiperidin-1-yl]methanone
CID 95350987
(4-fluoro-3-methyl-1-benzothiophen-2-yl)-[(3R)-3-imidazol-1-ylpiperidin-1-yl]methanone
CID 95312877
[(3S)-3-imidazol-1-ylpiperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 95340983
[(3S)-3-imidazol-1-ylpiperidin-1-yl]-(3-pyrrol-1-ylphenyl)methanone
CID 95313622

Frequently Asked Questions

What is the IUPAC name of 5-[(3S)-3-imidazol-1-ylpiperidine-1-carbonyl]thiophene-2-carboxamide?
The IUPAC name of 5-[(3S)-3-imidazol-1-ylpiperidine-1-carbonyl]thiophene-2-carboxamide (CID 95319281) is 5-[(3S)-3-imidazol-1-ylpiperidine-1-carbonyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-[(3S)-3-imidazol-1-ylpiperidine-1-carbonyl]thiophene-2-carboxamide?
The canonical SMILES for 5-[(3S)-3-imidazol-1-ylpiperidine-1-carbonyl]thiophene-2-carboxamide is NC(=O)c1ccc(C(=O)N2CCC[C@H](n3ccnc3)C2)s1.
What is the InChIKey of 5-[(3S)-3-imidazol-1-ylpiperidine-1-carbonyl]thiophene-2-carboxamide?
The InChIKey is MTYJQQMMAYCFJK-JTQLQIEISA-N. The full InChI is InChI=1S/C14H16N4O2S/c15-13(19)11-3-4-12(21-11)14(20)17-6-1-2-10(8-17)18-7-5-16-9-18/h3-5,7,9-10H,1-2,6,8H2,(H2,15,19)/t10-/m0/s1.
What are the key properties of 5-[(3S)-3-imidazol-1-ylpiperidine-1-carbonyl]thiophene-2-carboxamide?
5-[(3S)-3-imidazol-1-ylpiperidine-1-carbonyl]thiophene-2-carboxamide has a molecular weight of 304.38 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S)-3-imidazol-1-ylpiperidine-1-carbonyl]thiophene-2-carboxamide is sourced from PubChem (CID 95319281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).