N-[1-[(3S)-3-pyrazol-1-ylpiperidine-1-carbonyl]cyclohexyl]acetamide

C17H26N4O2 — CID 95158661

IUPACN-[1-[(3S)-3-pyrazol-1-ylpiperidine-1-carbonyl]cyclohexyl]acetamide
SMILESCC(=O)NC1(C(=O)N2CCC[C@H](n3cccn3)C2)CCCCC1
InChIInChI=1S/C17H26N4O2/c1-14(22)19-17(8-3-2-4-9-17)16(23)20-11-5-7-15(13-20)21-12-6-10-18-21/h6,10,12,15H,2-5,7-9,11,13H2,1H3,(H,19,22)/t15-/m0/s1
InChIKeyUXGIKOHPDVWATE-HNNXBMFYSA-N
MW318.42 g/mol
LogP1.89
Rot. Bonds3

About N-[1-[(3S)-3-pyrazol-1-ylpiperidine-1-carbonyl]cyclohexyl]acetamide

N-[1-[(3S)-3-pyrazol-1-ylpiperidine-1-carbonyl]cyclohexyl]acetamide (PubChem CID 95158661) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-[1-[(3S)-3-pyrazol-1-ylpiperidine-1-carbonyl]cyclohexyl]acetamide.

Molecular Properties

Compound NameN-[1-[(3S)-3-pyrazol-1-ylpiperidine-1-carbonyl]cyclohexyl]acetamide
PubChem CID95158661
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC NameN-[1-[(3S)-3-pyrazol-1-ylpiperidine-1-carbonyl]cyclohexyl]acetamide
SMILESCC(=O)NC1(C(=O)N2CCC[C@H](n3cccn3)C2)CCCCC1
InChIInChI=1S/C17H26N4O2/c1-14(22)19-17(8-3-2-4-9-17)16(23)20-11-5-7-15(13-20)21-12-6-10-18-21/h6,10,12,15H,2-5,7-9,11,13H2,1H3,(H,19,22)/t15-/m0/s1
InChIKeyUXGIKOHPDVWATE-HNNXBMFYSA-N
XLogP1.89
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-methylsulfonylcyclopentyl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95283281
N-[1-[3-(methylaminomethyl)piperidine-1-carbonyl]cyclohexyl]acetamide;hydrochloride
CID 119394929
(3S)-1-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]-3-pyrrol-1-ylbutan-1-one
CID 95158097
1-[1-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]cyclohexyl]-3-(2-methylphenyl)urea
CID 1444537
(2R)-2-(cyclopropylmethoxy)-1-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]propan-1-one
CID 95283086
(2R)-2-(cyclopropylmethoxy)-1-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]propan-1-one
CID 95283084
[(2S,3R)-2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl]-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 100840144
(2,5-dimethylthiophen-3-yl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95282542
5,5-dimethyl-3-[2-oxo-2-(3-pyrazol-1-ylpiperidin-1-yl)ethyl]imidazolidine-2,4-dione
CID 56823353
(4-aminophenyl)-(3-pyrazol-1-ylpiperidin-1-yl)methanone
CID 110474500
phenyl 3-pyrazol-1-ylpiperidine-1-carboxylate
CID 110472446
[(1R)-cyclohex-3-en-1-yl]-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95159169

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3S)-3-pyrazol-1-ylpiperidine-1-carbonyl]cyclohexyl]acetamide?
The IUPAC name of N-[1-[(3S)-3-pyrazol-1-ylpiperidine-1-carbonyl]cyclohexyl]acetamide (CID 95158661) is N-[1-[(3S)-3-pyrazol-1-ylpiperidine-1-carbonyl]cyclohexyl]acetamide.
What is the SMILES notation for N-[1-[(3S)-3-pyrazol-1-ylpiperidine-1-carbonyl]cyclohexyl]acetamide?
The canonical SMILES for N-[1-[(3S)-3-pyrazol-1-ylpiperidine-1-carbonyl]cyclohexyl]acetamide is CC(=O)NC1(C(=O)N2CCC[C@H](n3cccn3)C2)CCCCC1.
What is the InChIKey of N-[1-[(3S)-3-pyrazol-1-ylpiperidine-1-carbonyl]cyclohexyl]acetamide?
The InChIKey is UXGIKOHPDVWATE-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-14(22)19-17(8-3-2-4-9-17)16(23)20-11-5-7-15(13-20)21-12-6-10-18-21/h6,10,12,15H,2-5,7-9,11,13H2,1H3,(H,19,22)/t15-/m0/s1.
What are the key properties of N-[1-[(3S)-3-pyrazol-1-ylpiperidine-1-carbonyl]cyclohexyl]acetamide?
N-[1-[(3S)-3-pyrazol-1-ylpiperidine-1-carbonyl]cyclohexyl]acetamide has a molecular weight of 318.42 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3S)-3-pyrazol-1-ylpiperidine-1-carbonyl]cyclohexyl]acetamide is sourced from PubChem (CID 95158661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).