7-cyclohexyl-2-[4-(1H-pyrazol-4-yl)butanoyl]-2,7-diazaspiro[4.5]decan-6-one

C21H32N4O2 — CID 72898128

IUPAC7-cyclohexyl-2-[4-(1H-pyrazol-4-yl)butanoyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C(CCCc1cn[nH]c1)N1CCC2(CCCN(C3CCCCC3)C2=O)C1
InChIInChI=1S/C21H32N4O2/c26-19(9-4-6-17-14-22-23-15-17)24-13-11-21(16-24)10-5-12-25(20(21)27)18-7-2-1-3-8-18/h14-15,18H,1-13,16H2,(H,22,23)
InChIKeyMWGHOAOYNKZZFP-UHFFFAOYSA-N
MW372.51 g/mol
LogP2.91
Rot. Bonds5

About 7-cyclohexyl-2-[4-(1H-pyrazol-4-yl)butanoyl]-2,7-diazaspiro[4.5]decan-6-one

7-cyclohexyl-2-[4-(1H-pyrazol-4-yl)butanoyl]-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72898128) has the molecular formula C21H32N4O2 and a molecular weight of 372.51 g/mol. Its IUPAC name is 7-cyclohexyl-2-[4-(1H-pyrazol-4-yl)butanoyl]-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name7-cyclohexyl-2-[4-(1H-pyrazol-4-yl)butanoyl]-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72898128
Molecular FormulaC21H32N4O2
Molecular Weight372.51 g/mol
Exact Mass372.25
IUPAC Name7-cyclohexyl-2-[4-(1H-pyrazol-4-yl)butanoyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C(CCCc1cn[nH]c1)N1CCC2(CCCN(C3CCCCC3)C2=O)C1
InChIInChI=1S/C21H32N4O2/c26-19(9-4-6-17-14-22-23-15-17)24-13-11-21(16-24)10-5-12-25(20(21)27)18-7-2-1-3-8-18/h14-15,18H,1-13,16H2,(H,22,23)
InChIKeyMWGHOAOYNKZZFP-UHFFFAOYSA-N
XLogP2.91
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-cyclohexyl-2-[4-(1H-pyrazol-4-yl)butanoyl]-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 7-cyclohexyl-2-[4-(1H-pyrazol-4-yl)butanoyl]-2,7-diazaspiro[4.5]decan-6-one (CID 72898128) is 7-cyclohexyl-2-[4-(1H-pyrazol-4-yl)butanoyl]-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 7-cyclohexyl-2-[4-(1H-pyrazol-4-yl)butanoyl]-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 7-cyclohexyl-2-[4-(1H-pyrazol-4-yl)butanoyl]-2,7-diazaspiro[4.5]decan-6-one is O=C(CCCc1cn[nH]c1)N1CCC2(CCCN(C3CCCCC3)C2=O)C1.
What is the InChIKey of 7-cyclohexyl-2-[4-(1H-pyrazol-4-yl)butanoyl]-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is MWGHOAOYNKZZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O2/c26-19(9-4-6-17-14-22-23-15-17)24-13-11-21(16-24)10-5-12-25(20(21)27)18-7-2-1-3-8-18/h14-15,18H,1-13,16H2,(H,22,23).
What are the key properties of 7-cyclohexyl-2-[4-(1H-pyrazol-4-yl)butanoyl]-2,7-diazaspiro[4.5]decan-6-one?
7-cyclohexyl-2-[4-(1H-pyrazol-4-yl)butanoyl]-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 372.51 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclohexyl-2-[4-(1H-pyrazol-4-yl)butanoyl]-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72898128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).