7-(cyclohexylmethyl)-2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one

C20H32N4O — CID 45235527

IUPAC7-(cyclohexylmethyl)-2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCn1cc(CN2CCC3(CCCN(CC4CCCCC4)C3=O)C2)cn1
InChIInChI=1S/C20H32N4O/c1-22-13-18(12-21-22)14-23-11-9-20(16-23)8-5-10-24(19(20)25)15-17-6-3-2-4-7-17/h12-13,17H,2-11,14-16H2,1H3
InChIKeyRZZLROXDXLHMPG-UHFFFAOYSA-N
MW344.50 g/mol
LogP2.81
Rot. Bonds4

About 7-(cyclohexylmethyl)-2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one

7-(cyclohexylmethyl)-2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 45235527) has the molecular formula C20H32N4O and a molecular weight of 344.50 g/mol. Its IUPAC name is 7-(cyclohexylmethyl)-2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name7-(cyclohexylmethyl)-2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
PubChem CID45235527
Molecular FormulaC20H32N4O
Molecular Weight344.50 g/mol
Exact Mass344.26
IUPAC Name7-(cyclohexylmethyl)-2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCn1cc(CN2CCC3(CCCN(CC4CCCCC4)C3=O)C2)cn1
InChIInChI=1S/C20H32N4O/c1-22-13-18(12-21-22)14-23-11-9-20(16-23)8-5-10-24(19(20)25)15-17-6-3-2-4-7-17/h12-13,17H,2-11,14-16H2,1H3
InChIKeyRZZLROXDXLHMPG-UHFFFAOYSA-N
XLogP2.81
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(cyclohexylmethyl)-2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 7-(cyclohexylmethyl)-2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one (CID 45235527) is 7-(cyclohexylmethyl)-2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 7-(cyclohexylmethyl)-2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 7-(cyclohexylmethyl)-2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one is Cn1cc(CN2CCC3(CCCN(CC4CCCCC4)C3=O)C2)cn1.
What is the InChIKey of 7-(cyclohexylmethyl)-2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is RZZLROXDXLHMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O/c1-22-13-18(12-21-22)14-23-11-9-20(16-23)8-5-10-24(19(20)25)15-17-6-3-2-4-7-17/h12-13,17H,2-11,14-16H2,1H3.
What are the key properties of 7-(cyclohexylmethyl)-2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
7-(cyclohexylmethyl)-2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 344.50 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclohexylmethyl)-2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 45235527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).