1-benzyl-9-(cyclopropylmethyl)-1,9-diazaspiro[4.6]undecan-2-one

C20H28N2O — CID 131681152

IUPAC1-benzyl-9-(cyclopropylmethyl)-1,9-diazaspiro[4.6]undecan-2-one
SMILESO=C1CCC2(CCCN(CC3CC3)CC2)N1Cc1ccccc1
InChIInChI=1S/C20H28N2O/c23-19-9-11-20(22(19)16-17-5-2-1-3-6-17)10-4-13-21(14-12-20)15-18-7-8-18/h1-3,5-6,18H,4,7-16H2
InChIKeyKXCMZPSPKWEYHU-UHFFFAOYSA-N
MW312.46 g/mol
LogP3.44
Rot. Bonds4

About 1-benzyl-9-(cyclopropylmethyl)-1,9-diazaspiro[4.6]undecan-2-one

1-benzyl-9-(cyclopropylmethyl)-1,9-diazaspiro[4.6]undecan-2-one (PubChem CID 131681152) has the molecular formula C20H28N2O and a molecular weight of 312.46 g/mol. Its IUPAC name is 1-benzyl-9-(cyclopropylmethyl)-1,9-diazaspiro[4.6]undecan-2-one.

Molecular Properties

Compound Name1-benzyl-9-(cyclopropylmethyl)-1,9-diazaspiro[4.6]undecan-2-one
PubChem CID131681152
Molecular FormulaC20H28N2O
Molecular Weight312.46 g/mol
Exact Mass312.22
IUPAC Name1-benzyl-9-(cyclopropylmethyl)-1,9-diazaspiro[4.6]undecan-2-one
SMILESO=C1CCC2(CCCN(CC3CC3)CC2)N1Cc1ccccc1
InChIInChI=1S/C20H28N2O/c23-19-9-11-20(22(19)16-17-5-2-1-3-6-17)10-4-13-21(14-12-20)15-18-7-8-18/h1-3,5-6,18H,4,7-16H2
InChIKeyKXCMZPSPKWEYHU-UHFFFAOYSA-N
XLogP3.44
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-8-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97493904
9-(cyclopropylmethyl)-1-[(4-fluorophenyl)methyl]-1,9-diazaspiro[4.6]undecan-2-one
CID 131681092
9-(cyclopropylmethyl)-1-[(4-methylphenyl)methyl]-1,9-diazaspiro[4.6]undecan-2-one
CID 131681519
8-(cyclopropylmethyl)-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97372690
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-(oxan-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid
CID 155829263
(5S)-1-benzyl-9-methyl-1,9-diazaspiro[4.6]undecan-2-one
CID 97393950
1,9-bis(cyclohexylmethyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 131681470
1-(cyclopropylmethyl)-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-2-one
CID 134070814
N-benzyl-1-(cyclopropylmethyl)-2-oxo-1,9-diazaspiro[4.6]undecane-9-carboxamide
CID 131661655
9-(oxolan-3-ylmethyl)-1-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one;bis(2,2,2-trifluoroacetic acid)
CID 155838750
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-9-(cyclopropylmethyl)-1,9-diazaspiro[4.6]undecan-2-one?
The IUPAC name of 1-benzyl-9-(cyclopropylmethyl)-1,9-diazaspiro[4.6]undecan-2-one (CID 131681152) is 1-benzyl-9-(cyclopropylmethyl)-1,9-diazaspiro[4.6]undecan-2-one.
What is the SMILES notation for 1-benzyl-9-(cyclopropylmethyl)-1,9-diazaspiro[4.6]undecan-2-one?
The canonical SMILES for 1-benzyl-9-(cyclopropylmethyl)-1,9-diazaspiro[4.6]undecan-2-one is O=C1CCC2(CCCN(CC3CC3)CC2)N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-9-(cyclopropylmethyl)-1,9-diazaspiro[4.6]undecan-2-one?
The InChIKey is KXCMZPSPKWEYHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O/c23-19-9-11-20(22(19)16-17-5-2-1-3-6-17)10-4-13-21(14-12-20)15-18-7-8-18/h1-3,5-6,18H,4,7-16H2.
What are the key properties of 1-benzyl-9-(cyclopropylmethyl)-1,9-diazaspiro[4.6]undecan-2-one?
1-benzyl-9-(cyclopropylmethyl)-1,9-diazaspiro[4.6]undecan-2-one has a molecular weight of 312.46 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-9-(cyclopropylmethyl)-1,9-diazaspiro[4.6]undecan-2-one is sourced from PubChem (CID 131681152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).