3-[(4-chlorophenyl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one

C15H19ClN2O2 — CID 115067366

IUPAC3-[(4-chlorophenyl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
SMILESO=C1OC2(CCCNCC2)CN1Cc1ccc(Cl)cc1
InChIInChI=1S/C15H19ClN2O2/c16-13-4-2-12(3-5-13)10-18-11-15(20-14(18)19)6-1-8-17-9-7-15/h2-5,17H,1,6-11H2
InChIKeyAVCQXLYNYZPOQW-UHFFFAOYSA-N
MW294.78 g/mol
LogP2.80
Rot. Bonds2

About 3-[(4-chlorophenyl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one

3-[(4-chlorophenyl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one (PubChem CID 115067366) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
PubChem CID115067366
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC Name3-[(4-chlorophenyl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
SMILESO=C1OC2(CCCNCC2)CN1Cc1ccc(Cl)cc1
InChIInChI=1S/C15H19ClN2O2/c16-13-4-2-12(3-5-13)10-18-11-15(20-14(18)19)6-1-8-17-9-7-15/h2-5,17H,1,6-11H2
InChIKeyAVCQXLYNYZPOQW-UHFFFAOYSA-N
XLogP2.80
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-benzyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 77058995
3-[[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]methyl]-1-oxa-3-azaspiro[4.5]decan-2-one
CID 24983793
3-[(4-methoxyphenyl)methyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 115067319
3-[(4-chlorophenyl)methyl]-5-methyl-5-piperidin-3-yl-1,3-oxazolidin-2-one
CID 115065041
3-[(3-benzylimidazol-4-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 72923701
3-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 72859179
3-(1,3-benzothiazol-2-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 72881914
3-(2,2,2-trifluoroethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 131262021
3-(2,4-dichlorophenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 66545182
3-cyclopropyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 84781302
(5S)-3-pyridin-3-yl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 141312567
1-[(4-chlorophenyl)methyl]imidazolidin-2-one
CID 5076481

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
The IUPAC name of 3-[(4-chlorophenyl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one (CID 115067366) is 3-[(4-chlorophenyl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one.
What is the SMILES notation for 3-[(4-chlorophenyl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
The canonical SMILES for 3-[(4-chlorophenyl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one is O=C1OC2(CCCNCC2)CN1Cc1ccc(Cl)cc1.
What is the InChIKey of 3-[(4-chlorophenyl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
The InChIKey is AVCQXLYNYZPOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c16-13-4-2-12(3-5-13)10-18-11-15(20-14(18)19)6-1-8-17-9-7-15/h2-5,17H,1,6-11H2.
What are the key properties of 3-[(4-chlorophenyl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
3-[(4-chlorophenyl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one has a molecular weight of 294.78 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one is sourced from PubChem (CID 115067366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).