1-benzyl-8-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-2-one

C19H26N2O — CID 97493904

IUPAC1-benzyl-8-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-2-one
SMILESO=C1CCC2(CCN(CC3CC3)CC2)N1Cc1ccccc1
InChIInChI=1S/C19H26N2O/c22-18-8-9-19(21(18)15-16-4-2-1-3-5-16)10-12-20(13-11-19)14-17-6-7-17/h1-5,17H,6-15H2
InChIKeyGTLUPGGULFBMOK-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.05
Rot. Bonds4

About 1-benzyl-8-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-2-one

1-benzyl-8-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 97493904) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is 1-benzyl-8-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name1-benzyl-8-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-2-one
PubChem CID97493904
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC Name1-benzyl-8-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-2-one
SMILESO=C1CCC2(CCN(CC3CC3)CC2)N1Cc1ccccc1
InChIInChI=1S/C19H26N2O/c22-18-8-9-19(21(18)15-16-4-2-1-3-5-16)10-12-20(13-11-19)14-17-6-7-17/h1-5,17H,6-15H2
InChIKeyGTLUPGGULFBMOK-UHFFFAOYSA-N
XLogP3.05
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-9-(cyclopropylmethyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 131681152
8-(cyclopropylmethyl)-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97372690
1-benzyl-8-(oxan-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid
CID 155829263
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
9-(cyclopropylmethyl)-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one;bis(2,2,2-trifluoroacetic acid)
CID 155847690
1-benzyl-8-[(4-methoxyphenyl)methyl]-1,8-diazaspiro[4.5]decan-2-one
CID 97372701
(5S)-1-benzyl-9-methyl-1,9-diazaspiro[4.6]undecan-2-one
CID 97393950
8-(oxan-4-ylmethyl)-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one;bis(2,2,2-trifluoroacetic acid)
CID 155864093
1-benzyl-8-(2-hydroxyethyl)-1,8-diazaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid
CID 155862188
N-benzyl-1-(cyclopropylmethyl)-2-oxo-1,9-diazaspiro[4.6]undecane-9-carboxamide
CID 131661655
1-benzyl-8-[(2R)-oxolane-2-carbonyl]-1,8-diazaspiro[4.5]decan-2-one
CID 97397082

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-8-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 1-benzyl-8-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-2-one (CID 97493904) is 1-benzyl-8-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 1-benzyl-8-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 1-benzyl-8-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-2-one is O=C1CCC2(CCN(CC3CC3)CC2)N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-8-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is GTLUPGGULFBMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O/c22-18-8-9-19(21(18)15-16-4-2-1-3-5-16)10-12-20(13-11-19)14-17-6-7-17/h1-5,17H,6-15H2.
What are the key properties of 1-benzyl-8-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-2-one?
1-benzyl-8-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 298.43 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-8-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 97493904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).