1-(3-phenylpropanoyl)-9-propyl-1,9-diazaspiro[4.5]decan-10-one

C20H28N2O2 — CID 162638324

IUPAC1-(3-phenylpropanoyl)-9-propyl-1,9-diazaspiro[4.5]decan-10-one
SMILESCCCN1CCCC2(CCCN2C(=O)CCc2ccccc2)C1=O
InChIInChI=1S/C20H28N2O2/c1-2-14-21-15-6-12-20(19(21)24)13-7-16-22(20)18(23)11-10-17-8-4-3-5-9-17/h3-5,8-9H,2,6-7,10-16H2,1H3
InChIKeyNIGRKLRHIJKYEA-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.01
Rot. Bonds5

About 1-(3-phenylpropanoyl)-9-propyl-1,9-diazaspiro[4.5]decan-10-one

1-(3-phenylpropanoyl)-9-propyl-1,9-diazaspiro[4.5]decan-10-one (PubChem CID 162638324) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 1-(3-phenylpropanoyl)-9-propyl-1,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name1-(3-phenylpropanoyl)-9-propyl-1,9-diazaspiro[4.5]decan-10-one
PubChem CID162638324
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name1-(3-phenylpropanoyl)-9-propyl-1,9-diazaspiro[4.5]decan-10-one
SMILESCCCN1CCCC2(CCCN2C(=O)CCc2ccccc2)C1=O
InChIInChI=1S/C20H28N2O2/c1-2-14-21-15-6-12-20(19(21)24)13-7-16-22(20)18(23)11-10-17-8-4-3-5-9-17/h3-5,8-9H,2,6-7,10-16H2,1H3
InChIKeyNIGRKLRHIJKYEA-UHFFFAOYSA-N
XLogP3.01
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(2-oxopyrrolidin-1-yl)propanoyl]-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162634668
1-[3-(2,4-dimethylphenyl)propanoyl]-9-propyl-1,9-diazaspiro[4.5]decan-10-one
CID 162625940
1-(2-cyclopentylacetyl)-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162628512
1-[2-(3-methyl-2-oxoimidazolidin-1-yl)acetyl]-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 163316192
1-[2-(2H-indazol-3-yl)acetyl]-9-propyl-1,9-diazaspiro[4.5]decan-10-one
CID 163313724
9-propyl-1-[2-[2-(trifluoromethyl)phenyl]acetyl]-1,9-diazaspiro[4.5]decan-10-one
CID 162628852
2-ethyl-1-(3-phenylpropanoyl)pyrrolidine-2-carboxylic acid
CID 83076112
1-[3-(2-fluorophenyl)propanoyl]-9-(2-hydroxyethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162635282
1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162629688
1-[2-(1,3-benzodioxol-5-yl)acetyl]-9-propyl-1,9-diazaspiro[4.5]decan-10-one
CID 162629125
1-[2-(2-propan-2-ylbenzimidazol-1-yl)acetyl]-9-propyl-1,9-diazaspiro[4.5]decan-10-one
CID 162631229
1-[2-[(4-methylphenyl)methyl]benzoyl]-9-propyl-1,9-diazaspiro[4.5]decan-10-one
CID 162631168

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylpropanoyl)-9-propyl-1,9-diazaspiro[4.5]decan-10-one?
The IUPAC name of 1-(3-phenylpropanoyl)-9-propyl-1,9-diazaspiro[4.5]decan-10-one (CID 162638324) is 1-(3-phenylpropanoyl)-9-propyl-1,9-diazaspiro[4.5]decan-10-one.
What is the SMILES notation for 1-(3-phenylpropanoyl)-9-propyl-1,9-diazaspiro[4.5]decan-10-one?
The canonical SMILES for 1-(3-phenylpropanoyl)-9-propyl-1,9-diazaspiro[4.5]decan-10-one is CCCN1CCCC2(CCCN2C(=O)CCc2ccccc2)C1=O.
What is the InChIKey of 1-(3-phenylpropanoyl)-9-propyl-1,9-diazaspiro[4.5]decan-10-one?
The InChIKey is NIGRKLRHIJKYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-2-14-21-15-6-12-20(19(21)24)13-7-16-22(20)18(23)11-10-17-8-4-3-5-9-17/h3-5,8-9H,2,6-7,10-16H2,1H3.
What are the key properties of 1-(3-phenylpropanoyl)-9-propyl-1,9-diazaspiro[4.5]decan-10-one?
1-(3-phenylpropanoyl)-9-propyl-1,9-diazaspiro[4.5]decan-10-one has a molecular weight of 328.46 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylpropanoyl)-9-propyl-1,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 162638324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).