1-[2-(4-cyclohexylpiperazine-1-carbonyl)-6-azaspiro[2.5]octan-6-yl]-2-(3-methylpyrazol-1-yl)ethanone

C24H37N5O2 — CID 45166292

IUPAC1-[2-(4-cyclohexylpiperazine-1-carbonyl)-6-azaspiro[2.5]octan-6-yl]-2-(3-methylpyrazol-1-yl)ethanone
SMILESCc1ccn(CC(=O)N2CCC3(CC2)CC3C(=O)N2CCN(C3CCCCC3)CC2)n1
InChIInChI=1S/C24H37N5O2/c1-19-7-10-29(25-19)18-22(30)27-11-8-24(9-12-27)17-21(24)23(31)28-15-13-26(14-16-28)20-5-3-2-4-6-20/h7,10,20-21H,2-6,8-9,11-18H2,1H3
InChIKeyDZSVPAWUSNLKFI-UHFFFAOYSA-N
MW427.59 g/mol
LogP2.30
Rot. Bonds4

About 1-[2-(4-cyclohexylpiperazine-1-carbonyl)-6-azaspiro[2.5]octan-6-yl]-2-(3-methylpyrazol-1-yl)ethanone

1-[2-(4-cyclohexylpiperazine-1-carbonyl)-6-azaspiro[2.5]octan-6-yl]-2-(3-methylpyrazol-1-yl)ethanone (PubChem CID 45166292) has the molecular formula C24H37N5O2 and a molecular weight of 427.59 g/mol. Its IUPAC name is 1-[2-(4-cyclohexylpiperazine-1-carbonyl)-6-azaspiro[2.5]octan-6-yl]-2-(3-methylpyrazol-1-yl)ethanone.

Molecular Properties

Compound Name1-[2-(4-cyclohexylpiperazine-1-carbonyl)-6-azaspiro[2.5]octan-6-yl]-2-(3-methylpyrazol-1-yl)ethanone
PubChem CID45166292
Molecular FormulaC24H37N5O2
Molecular Weight427.59 g/mol
Exact Mass427.29
IUPAC Name1-[2-(4-cyclohexylpiperazine-1-carbonyl)-6-azaspiro[2.5]octan-6-yl]-2-(3-methylpyrazol-1-yl)ethanone
SMILESCc1ccn(CC(=O)N2CCC3(CC2)CC3C(=O)N2CCN(C3CCCCC3)CC2)n1
InChIInChI=1S/C24H37N5O2/c1-19-7-10-29(25-19)18-22(30)27-11-8-24(9-12-27)17-21(24)23(31)28-15-13-26(14-16-28)20-5-3-2-4-6-20/h7,10,20-21H,2-6,8-9,11-18H2,1H3
InChIKeyDZSVPAWUSNLKFI-UHFFFAOYSA-N
XLogP2.30
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.59
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-cyclohexylpiperazine-1-carbonyl)-6-azaspiro[2.5]octan-6-yl]-2-(3-methylpyrazol-1-yl)ethanone?
The IUPAC name of 1-[2-(4-cyclohexylpiperazine-1-carbonyl)-6-azaspiro[2.5]octan-6-yl]-2-(3-methylpyrazol-1-yl)ethanone (CID 45166292) is 1-[2-(4-cyclohexylpiperazine-1-carbonyl)-6-azaspiro[2.5]octan-6-yl]-2-(3-methylpyrazol-1-yl)ethanone.
What is the SMILES notation for 1-[2-(4-cyclohexylpiperazine-1-carbonyl)-6-azaspiro[2.5]octan-6-yl]-2-(3-methylpyrazol-1-yl)ethanone?
The canonical SMILES for 1-[2-(4-cyclohexylpiperazine-1-carbonyl)-6-azaspiro[2.5]octan-6-yl]-2-(3-methylpyrazol-1-yl)ethanone is Cc1ccn(CC(=O)N2CCC3(CC2)CC3C(=O)N2CCN(C3CCCCC3)CC2)n1.
What is the InChIKey of 1-[2-(4-cyclohexylpiperazine-1-carbonyl)-6-azaspiro[2.5]octan-6-yl]-2-(3-methylpyrazol-1-yl)ethanone?
The InChIKey is DZSVPAWUSNLKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N5O2/c1-19-7-10-29(25-19)18-22(30)27-11-8-24(9-12-27)17-21(24)23(31)28-15-13-26(14-16-28)20-5-3-2-4-6-20/h7,10,20-21H,2-6,8-9,11-18H2,1H3.
What are the key properties of 1-[2-(4-cyclohexylpiperazine-1-carbonyl)-6-azaspiro[2.5]octan-6-yl]-2-(3-methylpyrazol-1-yl)ethanone?
1-[2-(4-cyclohexylpiperazine-1-carbonyl)-6-azaspiro[2.5]octan-6-yl]-2-(3-methylpyrazol-1-yl)ethanone has a molecular weight of 427.59 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-cyclohexylpiperazine-1-carbonyl)-6-azaspiro[2.5]octan-6-yl]-2-(3-methylpyrazol-1-yl)ethanone is sourced from PubChem (CID 45166292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).