(2-aminocyclohexyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone

C15H24N4O — CID 64824388

IUPAC(2-aminocyclohexyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESNC1CCCCC1C(=O)N1CCCC(c2ccn[nH]2)C1
InChIInChI=1S/C15H24N4O/c16-13-6-2-1-5-12(13)15(20)19-9-3-4-11(10-19)14-7-8-17-18-14/h7-8,11-13H,1-6,9-10,16H2,(H,17,18)
InChIKeyJKSDYTIKTOQONU-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.63
Rot. Bonds2

About (2-aminocyclohexyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone

(2-aminocyclohexyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone (PubChem CID 64824388) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is (2-aminocyclohexyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-aminocyclohexyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
PubChem CID64824388
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name(2-aminocyclohexyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESNC1CCCCC1C(=O)N1CCCC(c2ccn[nH]2)C1
InChIInChI=1S/C15H24N4O/c16-13-6-2-1-5-12(13)15(20)19-9-3-4-11(10-19)14-7-8-17-18-14/h7-8,11-13H,1-6,9-10,16H2,(H,17,18)
InChIKeyJKSDYTIKTOQONU-UHFFFAOYSA-N
XLogP1.63
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopropyl-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 62866717
cyclopent-3-en-1-yl-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95775037
1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 62867071
[(1S,2R)-2-ethoxycyclopropyl]-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95768641
(4,4-difluorocyclohexyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 110271226
2,2-difluoro-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 103514888
[(1S,2R)-2-(5-methylthiophen-2-yl)cyclopropyl]-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 100839992
[3-(1H-pyrazol-5-yl)piperidin-1-yl]-(2H-triazol-4-yl)methanone
CID 78917987
(2R)-2-amino-3-methyl-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]butan-1-one
CID 79012541
[(2R)-1,4-dioxan-2-yl]-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95768695
[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone
CID 95768730
(4S)-1-(cyclopropylmethyl)-4-[(3S)-3-(1H-pyrazol-5-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 95768714

Frequently Asked Questions

What is the IUPAC name of (2-aminocyclohexyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of (2-aminocyclohexyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone (CID 64824388) is (2-aminocyclohexyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-aminocyclohexyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for (2-aminocyclohexyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone is NC1CCCCC1C(=O)N1CCCC(c2ccn[nH]2)C1.
What is the InChIKey of (2-aminocyclohexyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is JKSDYTIKTOQONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c16-13-6-2-1-5-12(13)15(20)19-9-3-4-11(10-19)14-7-8-17-18-14/h7-8,11-13H,1-6,9-10,16H2,(H,17,18).
What are the key properties of (2-aminocyclohexyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
(2-aminocyclohexyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 276.38 g/mol, XLogP of 1.63, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminocyclohexyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 64824388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).