(5S)-1-benzyl-9-methyl-1,9-diazaspiro[4.6]undecan-2-one

C17H24N2O — CID 97393950

IUPAC(5S)-1-benzyl-9-methyl-1,9-diazaspiro[4.6]undecan-2-one
SMILESCN1CCC[C@]2(CCC(=O)N2Cc2ccccc2)CC1
InChIInChI=1S/C17H24N2O/c1-18-12-5-9-17(11-13-18)10-8-16(20)19(17)14-15-6-3-2-4-7-15/h2-4,6-7H,5,8-14H2,1H3/t17-/m0/s1
InChIKeyVOZSBUXCKYWSFA-KRWDZBQOSA-N
MW272.39 g/mol
LogP2.66
Rot. Bonds2

About (5S)-1-benzyl-9-methyl-1,9-diazaspiro[4.6]undecan-2-one

(5S)-1-benzyl-9-methyl-1,9-diazaspiro[4.6]undecan-2-one (PubChem CID 97393950) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is (5S)-1-benzyl-9-methyl-1,9-diazaspiro[4.6]undecan-2-one.

Molecular Properties

Compound Name(5S)-1-benzyl-9-methyl-1,9-diazaspiro[4.6]undecan-2-one
PubChem CID97393950
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name(5S)-1-benzyl-9-methyl-1,9-diazaspiro[4.6]undecan-2-one
SMILESCN1CCC[C@]2(CCC(=O)N2Cc2ccccc2)CC1
InChIInChI=1S/C17H24N2O/c1-18-12-5-9-17(11-13-18)10-8-16(20)19(17)14-15-6-3-2-4-7-15/h2-4,6-7H,5,8-14H2,1H3/t17-/m0/s1
InChIKeyVOZSBUXCKYWSFA-KRWDZBQOSA-N
XLogP2.66
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.66
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
1-benzyl-2-oxo-N-propan-2-yl-1,8-diazaspiro[4.5]decane-8-carboxamide
CID 97493909
1-benzyl-8-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97493904
1-benzyl-8-[(4-methoxyphenyl)methyl]-1,8-diazaspiro[4.5]decan-2-one
CID 97372701
1-benzyl-8-[(2R)-oxolane-2-carbonyl]-1,8-diazaspiro[4.5]decan-2-one
CID 97397082
1-benzyl-8-(1-methylpyrazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97493911
1-benzyl-8-(2-hydroxyethyl)-1,8-diazaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid
CID 155862188
1-benzyl-8-(2-methylfuran-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97493907
1-benzyl-8-[2-(cyclohexen-1-yl)acetyl]-1,8-diazaspiro[4.5]decan-2-one
CID 26344303
1-[(4-fluorophenyl)methyl]-9-(2-methoxyethyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 131682828
1-benzyl-8-(4-fluorobenzoyl)-1,8-diazaspiro[4.5]decan-2-one
CID 42371262
(5R)-9-methylsulfonyl-1-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 97485089

Frequently Asked Questions

What is the IUPAC name of (5S)-1-benzyl-9-methyl-1,9-diazaspiro[4.6]undecan-2-one?
The IUPAC name of (5S)-1-benzyl-9-methyl-1,9-diazaspiro[4.6]undecan-2-one (CID 97393950) is (5S)-1-benzyl-9-methyl-1,9-diazaspiro[4.6]undecan-2-one.
What is the SMILES notation for (5S)-1-benzyl-9-methyl-1,9-diazaspiro[4.6]undecan-2-one?
The canonical SMILES for (5S)-1-benzyl-9-methyl-1,9-diazaspiro[4.6]undecan-2-one is CN1CCC[C@]2(CCC(=O)N2Cc2ccccc2)CC1.
What is the InChIKey of (5S)-1-benzyl-9-methyl-1,9-diazaspiro[4.6]undecan-2-one?
The InChIKey is VOZSBUXCKYWSFA-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H24N2O/c1-18-12-5-9-17(11-13-18)10-8-16(20)19(17)14-15-6-3-2-4-7-15/h2-4,6-7H,5,8-14H2,1H3/t17-/m0/s1.
What are the key properties of (5S)-1-benzyl-9-methyl-1,9-diazaspiro[4.6]undecan-2-one?
(5S)-1-benzyl-9-methyl-1,9-diazaspiro[4.6]undecan-2-one has a molecular weight of 272.39 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-benzyl-9-methyl-1,9-diazaspiro[4.6]undecan-2-one is sourced from PubChem (CID 97393950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).