(3-aminocyclohexyl)-[2-(1H-pyrazol-4-yl)piperidin-1-yl]methanone

C15H24N4O — CID 119888374

IUPAC(3-aminocyclohexyl)-[2-(1H-pyrazol-4-yl)piperidin-1-yl]methanone
SMILESNC1CCCC(C(=O)N2CCCCC2c2cn[nH]c2)C1
InChIInChI=1S/C15H24N4O/c16-13-5-3-4-11(8-13)15(20)19-7-2-1-6-14(19)12-9-17-18-10-12/h9-11,13-14H,1-8,16H2,(H,17,18)
InChIKeyVNDCTYLDVDLZNF-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.98
Rot. Bonds2

About (3-aminocyclohexyl)-[2-(1H-pyrazol-4-yl)piperidin-1-yl]methanone

(3-aminocyclohexyl)-[2-(1H-pyrazol-4-yl)piperidin-1-yl]methanone (PubChem CID 119888374) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is (3-aminocyclohexyl)-[2-(1H-pyrazol-4-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-aminocyclohexyl)-[2-(1H-pyrazol-4-yl)piperidin-1-yl]methanone
PubChem CID119888374
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name(3-aminocyclohexyl)-[2-(1H-pyrazol-4-yl)piperidin-1-yl]methanone
SMILESNC1CCCC(C(=O)N2CCCCC2c2cn[nH]c2)C1
InChIInChI=1S/C15H24N4O/c16-13-5-3-4-11(8-13)15(20)19-7-2-1-6-14(19)12-9-17-18-10-12/h9-11,13-14H,1-8,16H2,(H,17,18)
InChIKeyVNDCTYLDVDLZNF-UHFFFAOYSA-N
XLogP1.98
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 ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-aminocyclohexyl)-[2-(1H-pyrazol-4-yl)piperidin-1-yl]methanone?
The IUPAC name of (3-aminocyclohexyl)-[2-(1H-pyrazol-4-yl)piperidin-1-yl]methanone (CID 119888374) is (3-aminocyclohexyl)-[2-(1H-pyrazol-4-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-aminocyclohexyl)-[2-(1H-pyrazol-4-yl)piperidin-1-yl]methanone?
The canonical SMILES for (3-aminocyclohexyl)-[2-(1H-pyrazol-4-yl)piperidin-1-yl]methanone is NC1CCCC(C(=O)N2CCCCC2c2cn[nH]c2)C1.
What is the InChIKey of (3-aminocyclohexyl)-[2-(1H-pyrazol-4-yl)piperidin-1-yl]methanone?
The InChIKey is VNDCTYLDVDLZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c16-13-5-3-4-11(8-13)15(20)19-7-2-1-6-14(19)12-9-17-18-10-12/h9-11,13-14H,1-8,16H2,(H,17,18).
What are the key properties of (3-aminocyclohexyl)-[2-(1H-pyrazol-4-yl)piperidin-1-yl]methanone?
(3-aminocyclohexyl)-[2-(1H-pyrazol-4-yl)piperidin-1-yl]methanone has a molecular weight of 276.38 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminocyclohexyl)-[2-(1H-pyrazol-4-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 119888374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).