N-[5-[3-(1,2,4-triazol-1-yl)piperidine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide

C16H19N5O2S — CID 86893779

IUPACN-[5-[3-(1,2,4-triazol-1-yl)piperidine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc(C(=O)N2CCCC(n3cncn3)C2)s1)C1CC1
InChIInChI=1S/C16H19N5O2S/c22-15(11-3-4-11)19-14-6-5-13(24-14)16(23)20-7-1-2-12(8-20)21-10-17-9-18-21/h5-6,9-12H,1-4,7-8H2,(H,19,22)
InChIKeyKQSYPEVQRPUYDI-UHFFFAOYSA-N
MW345.43 g/mol
LogP2.17
Rot. Bonds4

About N-[5-[3-(1,2,4-triazol-1-yl)piperidine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide

N-[5-[3-(1,2,4-triazol-1-yl)piperidine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide (PubChem CID 86893779) has the molecular formula C16H19N5O2S and a molecular weight of 345.43 g/mol. Its IUPAC name is N-[5-[3-(1,2,4-triazol-1-yl)piperidine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[3-(1,2,4-triazol-1-yl)piperidine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide
PubChem CID86893779
Molecular FormulaC16H19N5O2S
Molecular Weight345.43 g/mol
Exact Mass345.13
IUPAC NameN-[5-[3-(1,2,4-triazol-1-yl)piperidine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc(C(=O)N2CCCC(n3cncn3)C2)s1)C1CC1
InChIInChI=1S/C16H19N5O2S/c22-15(11-3-4-11)19-14-6-5-13(24-14)16(23)20-7-1-2-12(8-20)21-10-17-9-18-21/h5-6,9-12H,1-4,7-8H2,(H,19,22)
InChIKeyKQSYPEVQRPUYDI-UHFFFAOYSA-N
XLogP2.17
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(piperidine-1-carbonyl)thiophen-2-yl]cyclopropanecarboxamide
CID 18135424
N-[5-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide
CID 86903169
(2,5-dimethylthiophen-3-yl)-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 86768302
4-[3-(1,2,4-triazol-1-yl)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120673516
2,3-dihydro-1H-inden-5-yl-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 95736385
(2S)-1-methyl-N-[5-(pyrrolidine-1-carbonyl)thiophen-2-yl]pyrrolidine-2-carboxamide
CID 162697997
N-[5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)thiophen-2-yl]cyclopropanecarboxamide
CID 17493933
2-phenyl-2-pyrrolidin-1-yl-1-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]ethanone
CID 71878582
N-[5-(3-hydroxypiperidine-1-carbonyl)thiophen-2-yl]acetamide
CID 43415885
(2-cyclopropylpyrimidin-4-yl)-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 95767169
(3R)-N-(1-cyclohexyl-1,2,4-triazol-3-yl)-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide
CID 124617527
(2-cyclopentyloxyphenyl)-[(3S)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 95764975

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(1,2,4-triazol-1-yl)piperidine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[3-(1,2,4-triazol-1-yl)piperidine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide (CID 86893779) is N-[5-[3-(1,2,4-triazol-1-yl)piperidine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[3-(1,2,4-triazol-1-yl)piperidine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[3-(1,2,4-triazol-1-yl)piperidine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide is O=C(Nc1ccc(C(=O)N2CCCC(n3cncn3)C2)s1)C1CC1.
What is the InChIKey of N-[5-[3-(1,2,4-triazol-1-yl)piperidine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide?
The InChIKey is KQSYPEVQRPUYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2S/c22-15(11-3-4-11)19-14-6-5-13(24-14)16(23)20-7-1-2-12(8-20)21-10-17-9-18-21/h5-6,9-12H,1-4,7-8H2,(H,19,22).
What are the key properties of N-[5-[3-(1,2,4-triazol-1-yl)piperidine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide?
N-[5-[3-(1,2,4-triazol-1-yl)piperidine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide has a molecular weight of 345.43 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-(1,2,4-triazol-1-yl)piperidine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 86893779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).