(5R)-9-[2-(3,4-dichlorophenyl)acetyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one

C15H16Cl2N2O3 — CID 95713114

IUPAC(5R)-9-[2-(3,4-dichlorophenyl)acetyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
SMILESO=C1NC[C@@]2(CCCN(C(=O)Cc3ccc(Cl)c(Cl)c3)C2)O1
InChIInChI=1S/C15H16Cl2N2O3/c16-11-3-2-10(6-12(11)17)7-13(20)19-5-1-4-15(9-19)8-18-14(21)22-15/h2-3,6H,1,4-5,7-9H2,(H,18,21)/t15-/m1/s1
InChIKeyCXVXDCPVKYRGJO-OAHLLOKOSA-N
MW343.21 g/mol
LogP2.64
Rot. Bonds2

About (5R)-9-[2-(3,4-dichlorophenyl)acetyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one

(5R)-9-[2-(3,4-dichlorophenyl)acetyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one (PubChem CID 95713114) has the molecular formula C15H16Cl2N2O3 and a molecular weight of 343.21 g/mol. Its IUPAC name is (5R)-9-[2-(3,4-dichlorophenyl)acetyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(5R)-9-[2-(3,4-dichlorophenyl)acetyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
PubChem CID95713114
Molecular FormulaC15H16Cl2N2O3
Molecular Weight343.21 g/mol
Exact Mass342.05
IUPAC Name(5R)-9-[2-(3,4-dichlorophenyl)acetyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
SMILESO=C1NC[C@@]2(CCCN(C(=O)Cc3ccc(Cl)c(Cl)c3)C2)O1
InChIInChI=1S/C15H16Cl2N2O3/c16-11-3-2-10(6-12(11)17)7-13(20)19-5-1-4-15(9-19)8-18-14(21)22-15/h2-3,6H,1,4-5,7-9H2,(H,18,21)/t15-/m1/s1
InChIKeyCXVXDCPVKYRGJO-OAHLLOKOSA-N
XLogP2.64
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.21
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5S)-9-[2-(1,3-benzodioxol-5-yl)acetyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95721951
2-(3,4-dichlorophenyl)-1-pyrrolidin-1-ylethanone
CID 10422618
1-(azepan-1-yl)-2-(3,4-dichlorophenyl)ethanone
CID 60629303
2-[2-(3,4-difluorophenyl)acetyl]-5-oxa-2,7-diazaspiro[3.4]octan-6-one
CID 126819006
(5R)-9-(2-pyridin-3-ylacetyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95714313
2-(3,4-dichlorophenyl)-1-[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]ethanone
CID 56911883
(5S)-9-[3-(6-oxo-1H-pyridazin-3-yl)propanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 95725555
(5S)-9-[2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 95727090
9-[3-(2-oxo-1-pyridinyl)propanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 56896758
(2S)-1'-[2-(4-methylphenyl)acetyl]spiro[3,4-dihydro-1,4-benzoxazepine-2,3'-piperidine]-5-one
CID 51585751
2-(3,4-dichlorophenyl)-1-morpholin-4-ylethanone
CID 1485657
1-(4-acetyl-1,4-diazepan-1-yl)-2-(3,4-dichlorophenyl)ethanone
CID 134061564

Frequently Asked Questions

What is the IUPAC name of (5R)-9-[2-(3,4-dichlorophenyl)acetyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The IUPAC name of (5R)-9-[2-(3,4-dichlorophenyl)acetyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one (CID 95713114) is (5R)-9-[2-(3,4-dichlorophenyl)acetyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for (5R)-9-[2-(3,4-dichlorophenyl)acetyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The canonical SMILES for (5R)-9-[2-(3,4-dichlorophenyl)acetyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one is O=C1NC[C@@]2(CCCN(C(=O)Cc3ccc(Cl)c(Cl)c3)C2)O1.
What is the InChIKey of (5R)-9-[2-(3,4-dichlorophenyl)acetyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The InChIKey is CXVXDCPVKYRGJO-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H16Cl2N2O3/c16-11-3-2-10(6-12(11)17)7-13(20)19-5-1-4-15(9-19)8-18-14(21)22-15/h2-3,6H,1,4-5,7-9H2,(H,18,21)/t15-/m1/s1.
What are the key properties of (5R)-9-[2-(3,4-dichlorophenyl)acetyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
(5R)-9-[2-(3,4-dichlorophenyl)acetyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one has a molecular weight of 343.21 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-9-[2-(3,4-dichlorophenyl)acetyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 95713114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).