1-(cyclopropylmethyl)-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-2-one

C20H28N2O — CID 134070814

IUPAC1-(cyclopropylmethyl)-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-2-one
SMILESO=C1CCC2(CCCN(CCc3ccccc3)C2)N1CC1CC1
InChIInChI=1S/C20H28N2O/c23-19-9-12-20(22(19)15-18-7-8-18)11-4-13-21(16-20)14-10-17-5-2-1-3-6-17/h1-3,5-6,18H,4,7-16H2
InChIKeyYJWHMDSCNARCFF-UHFFFAOYSA-N
MW312.46 g/mol
LogP3.10
Rot. Bonds5

About 1-(cyclopropylmethyl)-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-2-one

1-(cyclopropylmethyl)-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-2-one (PubChem CID 134070814) has the molecular formula C20H28N2O and a molecular weight of 312.46 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-2-one
PubChem CID134070814
Molecular FormulaC20H28N2O
Molecular Weight312.46 g/mol
Exact Mass312.22
IUPAC Name1-(cyclopropylmethyl)-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-2-one
SMILESO=C1CCC2(CCCN(CCc3ccccc3)C2)N1CC1CC1
InChIInChI=1S/C20H28N2O/c23-19-9-12-20(22(19)15-18-7-8-18)11-4-13-21(16-20)14-10-17-5-2-1-3-6-17/h1-3,5-6,18H,4,7-16H2
InChIKeyYJWHMDSCNARCFF-UHFFFAOYSA-N
XLogP3.10
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-(2-phenylethyl)-1-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one
CID 118743992
1-benzyl-9-(cyclopropylmethyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 131681152
N-benzyl-1-(cyclopropylmethyl)-2-oxo-1,9-diazaspiro[4.6]undecane-9-carboxamide
CID 131661655
1-benzyl-8-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97493904
1,9-bis(cyclohexylmethyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 131681470
1-methyl-8-(2-phenylethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 26336960
1-benzyl-3-[1-(cyclopropylmethyl)-2-oxo-1-azaspiro[4.5]decan-8-yl]urea
CID 97494267
9-(cyclopropylmethyl)-1-[(4-methylphenyl)methyl]-1,9-diazaspiro[4.6]undecan-2-one
CID 131681519
9-(cyclopropylmethyl)-1-[(4-fluorophenyl)methyl]-1,9-diazaspiro[4.6]undecan-2-one
CID 131681092
(4R,5S)-7-(2-phenylethyl)-7-azaspiro[4.5]decan-4-ol
CID 135089439
(5S)-1-benzyl-9-methyl-1,9-diazaspiro[4.6]undecan-2-one
CID 97393950
(5R)-1-(cyclopropylmethyl)-9-[(3-methylimidazol-4-yl)methyl]-1,9-diazaspiro[4.6]undecan-2-one
CID 97485001

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-2-one?
The IUPAC name of 1-(cyclopropylmethyl)-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-2-one (CID 134070814) is 1-(cyclopropylmethyl)-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 1-(cyclopropylmethyl)-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 1-(cyclopropylmethyl)-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-2-one is O=C1CCC2(CCCN(CCc3ccccc3)C2)N1CC1CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-2-one?
The InChIKey is YJWHMDSCNARCFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O/c23-19-9-12-20(22(19)15-18-7-8-18)11-4-13-21(16-20)14-10-17-5-2-1-3-6-17/h1-3,5-6,18H,4,7-16H2.
What are the key properties of 1-(cyclopropylmethyl)-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-2-one?
1-(cyclopropylmethyl)-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-2-one has a molecular weight of 312.46 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 134070814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).