7-propan-2-yl-2-(4-pyrazol-1-ylbutanoyl)-2,7-diazaspiro[4.5]decan-6-one

C18H28N4O2 — CID 72936933

IUPAC7-propan-2-yl-2-(4-pyrazol-1-ylbutanoyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCC(C)N1CCCC2(CCN(C(=O)CCCn3cccn3)C2)C1=O
InChIInChI=1S/C18H28N4O2/c1-15(2)22-12-4-7-18(17(22)24)8-13-20(14-18)16(23)6-3-10-21-11-5-9-19-21/h5,9,11,15H,3-4,6-8,10,12-14H2,1-2H3
InChIKeyMORJHZFEJACCGV-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.91
Rot. Bonds5

About 7-propan-2-yl-2-(4-pyrazol-1-ylbutanoyl)-2,7-diazaspiro[4.5]decan-6-one

7-propan-2-yl-2-(4-pyrazol-1-ylbutanoyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72936933) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 7-propan-2-yl-2-(4-pyrazol-1-ylbutanoyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name7-propan-2-yl-2-(4-pyrazol-1-ylbutanoyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72936933
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name7-propan-2-yl-2-(4-pyrazol-1-ylbutanoyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCC(C)N1CCCC2(CCN(C(=O)CCCn3cccn3)C2)C1=O
InChIInChI=1S/C18H28N4O2/c1-15(2)22-12-4-7-18(17(22)24)8-13-20(14-18)16(23)6-3-10-21-11-5-9-19-21/h5,9,11,15H,3-4,6-8,10,12-14H2,1-2H3
InChIKeyMORJHZFEJACCGV-UHFFFAOYSA-N
XLogP1.91
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclohexylmethyl)-N-ethyl-6-oxo-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide
CID 24790120
1-[4-(Diethylaminomethyl)piperidin-1-yl]-3-pyrazol-1-ylpropan-1-one
CID 53519876
N-methyl-1-(3-pyrazol-1-ylpropanoyl)piperidine-4-carboxamide
CID 53526482
1-[2-[2-(Pyrazol-1-ylmethyl)piperidin-1-yl]ethyl]pyrrolidin-2-one
CID 56780341
8-methyl-2-propyl-N-(2-pyrazol-1-ylethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56882763
4-(4-Methylpiperidine-1-carbonyl)-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-2-one
CID 71830384
7-isopropyl-2-[(1-propyl-1H-pyrazol-5-yl)sulfonyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72847978
2-[(1-ethyl-1H-pyrazol-5-yl)sulfonyl]-7-isopropyl-2,7-diazaspiro[4.5]decan-6-one
CID 72906404
1-[(1-ethyl-4-piperidinyl)acetyl]-2-[2-(1H-pyrazol-1-yl)ethyl]piperidine
CID 72918909
1-[(1-isopropyl-4-piperidinyl)acetyl]-2-[2-(1H-pyrazol-1-yl)ethyl]piperidine
CID 72925091
1-(2-(4-((1H-pyrazol-1-yl)methyl)piperidin-1-yl)-2-oxoethyl)pyrrolidine-2,5-dione
CID 52906711
1-(4-(2-(1H-pyrazol-1-yl)ethyl)piperazin-1-yl)-2-cyclopentylethanone
CID 52907327

Frequently Asked Questions

What is the IUPAC name of 7-propan-2-yl-2-(4-pyrazol-1-ylbutanoyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 7-propan-2-yl-2-(4-pyrazol-1-ylbutanoyl)-2,7-diazaspiro[4.5]decan-6-one (CID 72936933) is 7-propan-2-yl-2-(4-pyrazol-1-ylbutanoyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 7-propan-2-yl-2-(4-pyrazol-1-ylbutanoyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 7-propan-2-yl-2-(4-pyrazol-1-ylbutanoyl)-2,7-diazaspiro[4.5]decan-6-one is CC(C)N1CCCC2(CCN(C(=O)CCCn3cccn3)C2)C1=O.
What is the InChIKey of 7-propan-2-yl-2-(4-pyrazol-1-ylbutanoyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is MORJHZFEJACCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-15(2)22-12-4-7-18(17(22)24)8-13-20(14-18)16(23)6-3-10-21-11-5-9-19-21/h5,9,11,15H,3-4,6-8,10,12-14H2,1-2H3.
What are the key properties of 7-propan-2-yl-2-(4-pyrazol-1-ylbutanoyl)-2,7-diazaspiro[4.5]decan-6-one?
7-propan-2-yl-2-(4-pyrazol-1-ylbutanoyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 332.45 g/mol, XLogP of 1.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propan-2-yl-2-(4-pyrazol-1-ylbutanoyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72936933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).