(5S)-2-(4-imidazol-1-ylbutanoyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one

C18H28N4O2 — CID 97125136

IUPAC(5S)-2-(4-imidazol-1-ylbutanoyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
SMILESCC(C)N1CCC[C@@]2(CCN(C(=O)CCCn3ccnc3)C2)C1=O
InChIInChI=1S/C18H28N4O2/c1-15(2)22-10-4-6-18(17(22)24)7-11-21(13-18)16(23)5-3-9-20-12-8-19-14-20/h8,12,14-15H,3-7,9-11,13H2,1-2H3/t18-/m0/s1
InChIKeyDSBSGMHSSLFVGX-SFHVURJKSA-N
MW332.45 g/mol
LogP1.91
Rot. Bonds5

About (5S)-2-(4-imidazol-1-ylbutanoyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one

(5S)-2-(4-imidazol-1-ylbutanoyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 97125136) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is (5S)-2-(4-imidazol-1-ylbutanoyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5S)-2-(4-imidazol-1-ylbutanoyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
PubChem CID97125136
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name(5S)-2-(4-imidazol-1-ylbutanoyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
SMILESCC(C)N1CCC[C@@]2(CCN(C(=O)CCCn3ccnc3)C2)C1=O
InChIInChI=1S/C18H28N4O2/c1-15(2)22-10-4-6-18(17(22)24)7-11-21(13-18)16(23)5-3-9-20-12-8-19-14-20/h8,12,14-15H,3-7,9-11,13H2,1-2H3/t18-/m0/s1
InChIKeyDSBSGMHSSLFVGX-SFHVURJKSA-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

7-cyclohexyl-2-(4-imidazol-1-ylbutanoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72918966
(5S)-7-cyclohexyl-2-(4-imidazol-1-ylbutanoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97146419
(5S)-2-(4-phenoxybutanoyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
CID 97122223
(5S)-2-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
CID 97123414
1-[2-oxo-2-[(5S)-6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl]ethyl]pyrimidine-2,4-dione
CID 97141632
1-[2-oxo-2-(6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl)ethyl]pyrimidine-2,4-dione
CID 72908248
3-methyl-5-[2-oxo-2-[(5R)-6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl]ethyl]-1H-pyrimidine-2,4-dione
CID 97133253
(5R)-2-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
CID 97146542
3-[2-oxo-2-[(5R)-6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl]ethyl]-1,3-oxazolidin-2-one
CID 97134718
1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-4-imidazol-1-ylbutan-1-one
CID 110159573
(5R)-2-(1-methylindole-4-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
CID 97118729
(5R)-2-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
CID 97146990

Frequently Asked Questions

What is the IUPAC name of (5S)-2-(4-imidazol-1-ylbutanoyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5S)-2-(4-imidazol-1-ylbutanoyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one (CID 97125136) is (5S)-2-(4-imidazol-1-ylbutanoyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5S)-2-(4-imidazol-1-ylbutanoyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5S)-2-(4-imidazol-1-ylbutanoyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one is CC(C)N1CCC[C@@]2(CCN(C(=O)CCCn3ccnc3)C2)C1=O.
What is the InChIKey of (5S)-2-(4-imidazol-1-ylbutanoyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is DSBSGMHSSLFVGX-SFHVURJKSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-15(2)22-10-4-6-18(17(22)24)7-11-21(13-18)16(23)5-3-9-20-12-8-19-14-20/h8,12,14-15H,3-7,9-11,13H2,1-2H3/t18-/m0/s1.
What are the key properties of (5S)-2-(4-imidazol-1-ylbutanoyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one?
(5S)-2-(4-imidazol-1-ylbutanoyl)-7-propan-2-yl-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 (5S)-2-(4-imidazol-1-ylbutanoyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 97125136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).