3-(1H-pyrazol-5-yl)-N-[(1-thiophen-2-ylcyclohexyl)methyl]piperidine-1-carboxamide

C20H28N4OS — CID 138998629

IUPAC3-(1H-pyrazol-5-yl)-N-[(1-thiophen-2-ylcyclohexyl)methyl]piperidine-1-carboxamide
SMILESO=C(NCC1(c2cccs2)CCCCC1)N1CCCC(c2ccn[nH]2)C1
InChIInChI=1S/C20H28N4OS/c25-19(24-12-4-6-16(14-24)17-8-11-22-23-17)21-15-20(9-2-1-3-10-20)18-7-5-13-26-18/h5,7-8,11,13,16H,1-4,6,9-10,12,14-15H2,(H,21,25)(H,22,23)
InChIKeyFCQVRECZWQREJZ-UHFFFAOYSA-N
MW372.54 g/mol
LogP4.26
Rot. Bonds4

About 3-(1H-pyrazol-5-yl)-N-[(1-thiophen-2-ylcyclohexyl)methyl]piperidine-1-carboxamide

3-(1H-pyrazol-5-yl)-N-[(1-thiophen-2-ylcyclohexyl)methyl]piperidine-1-carboxamide (PubChem CID 138998629) has the molecular formula C20H28N4OS and a molecular weight of 372.54 g/mol. Its IUPAC name is 3-(1H-pyrazol-5-yl)-N-[(1-thiophen-2-ylcyclohexyl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(1H-pyrazol-5-yl)-N-[(1-thiophen-2-ylcyclohexyl)methyl]piperidine-1-carboxamide
PubChem CID138998629
Molecular FormulaC20H28N4OS
Molecular Weight372.54 g/mol
Exact Mass372.20
IUPAC Name3-(1H-pyrazol-5-yl)-N-[(1-thiophen-2-ylcyclohexyl)methyl]piperidine-1-carboxamide
SMILESO=C(NCC1(c2cccs2)CCCCC1)N1CCCC(c2ccn[nH]2)C1
InChIInChI=1S/C20H28N4OS/c25-19(24-12-4-6-16(14-24)17-8-11-22-23-17)21-15-20(9-2-1-3-10-20)18-7-5-13-26-18/h5,7-8,11,13,16H,1-4,6,9-10,12,14-15H2,(H,21,25)(H,22,23)
InChIKeyFCQVRECZWQREJZ-UHFFFAOYSA-N
XLogP4.26
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.54
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(5-bromothiophen-2-yl)cyclobutyl]methyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 138999740
N-benzyl-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 166186970
(3R)-N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 124615352
(3R)-N-[(2S)-2-methoxy-3,3-dimethylbutyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 124615298
1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 62867071
(2S)-5-oxo-N-[(1-thiophen-2-ylcyclohexyl)methyl]pyrrolidine-2-carboxamide
CID 94221439
N-(4-phenylphenyl)-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 166207366
1-(4-hydroxycyclohexyl)-3-[(1-thiophen-2-ylcyclohexyl)methyl]urea
CID 111440825
[3-(1H-pyrazol-5-yl)piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone
CID 56753766
[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone
CID 95215058
3-(propan-2-ylamino)-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 54873257
1-[(3S)-3-(1H-pyrazol-5-yl)piperidine-1-carbonyl]cyclopentane-1-carbonitrile
CID 95768398

Frequently Asked Questions

What is the IUPAC name of 3-(1H-pyrazol-5-yl)-N-[(1-thiophen-2-ylcyclohexyl)methyl]piperidine-1-carboxamide?
The IUPAC name of 3-(1H-pyrazol-5-yl)-N-[(1-thiophen-2-ylcyclohexyl)methyl]piperidine-1-carboxamide (CID 138998629) is 3-(1H-pyrazol-5-yl)-N-[(1-thiophen-2-ylcyclohexyl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for 3-(1H-pyrazol-5-yl)-N-[(1-thiophen-2-ylcyclohexyl)methyl]piperidine-1-carboxamide?
The canonical SMILES for 3-(1H-pyrazol-5-yl)-N-[(1-thiophen-2-ylcyclohexyl)methyl]piperidine-1-carboxamide is O=C(NCC1(c2cccs2)CCCCC1)N1CCCC(c2ccn[nH]2)C1.
What is the InChIKey of 3-(1H-pyrazol-5-yl)-N-[(1-thiophen-2-ylcyclohexyl)methyl]piperidine-1-carboxamide?
The InChIKey is FCQVRECZWQREJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4OS/c25-19(24-12-4-6-16(14-24)17-8-11-22-23-17)21-15-20(9-2-1-3-10-20)18-7-5-13-26-18/h5,7-8,11,13,16H,1-4,6,9-10,12,14-15H2,(H,21,25)(H,22,23).
What are the key properties of 3-(1H-pyrazol-5-yl)-N-[(1-thiophen-2-ylcyclohexyl)methyl]piperidine-1-carboxamide?
3-(1H-pyrazol-5-yl)-N-[(1-thiophen-2-ylcyclohexyl)methyl]piperidine-1-carboxamide has a molecular weight of 372.54 g/mol, XLogP of 4.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-pyrazol-5-yl)-N-[(1-thiophen-2-ylcyclohexyl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 138998629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).