(5S)-2-(3-chloro-5-methoxybenzoyl)-2,7-diazaspiro[4.5]decan-6-one

C16H19ClN2O3 — CID 97128167

IUPAC(5S)-2-(3-chloro-5-methoxybenzoyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCOc1cc(Cl)cc(C(=O)N2CC[C@@]3(CCCNC3=O)C2)c1
InChIInChI=1S/C16H19ClN2O3/c1-22-13-8-11(7-12(17)9-13)14(20)19-6-4-16(10-19)3-2-5-18-15(16)21/h7-9H,2-6,10H2,1H3,(H,18,21)/t16-/m0/s1
InChIKeyBDXQDCGAPGFSEI-INIZCTEOSA-N
MW322.79 g/mol
LogP2.09
Rot. Bonds2

About (5S)-2-(3-chloro-5-methoxybenzoyl)-2,7-diazaspiro[4.5]decan-6-one

(5S)-2-(3-chloro-5-methoxybenzoyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 97128167) has the molecular formula C16H19ClN2O3 and a molecular weight of 322.79 g/mol. Its IUPAC name is (5S)-2-(3-chloro-5-methoxybenzoyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5S)-2-(3-chloro-5-methoxybenzoyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID97128167
Molecular FormulaC16H19ClN2O3
Molecular Weight322.79 g/mol
Exact Mass322.11
IUPAC Name(5S)-2-(3-chloro-5-methoxybenzoyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCOc1cc(Cl)cc(C(=O)N2CC[C@@]3(CCCNC3=O)C2)c1
InChIInChI=1S/C16H19ClN2O3/c1-22-13-8-11(7-12(17)9-13)14(20)19-6-4-16(10-19)3-2-5-18-15(16)21/h7-9H,2-6,10H2,1H3,(H,18,21)/t16-/m0/s1
InChIKeyBDXQDCGAPGFSEI-INIZCTEOSA-N
XLogP2.09
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.79
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-5-methoxybenzoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72880026
N-[2-[4-[(5R)-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]phenoxy]ethyl]acetamide
CID 97148392
2-(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72896595
2-(4-methylpiperazine-1-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72937627
(3-chloro-5-methoxyphenyl)-[4-(1H-pyrazole-4-carbonyl)-1,4-diazepan-1-yl]methanone
CID 134708918
(5S)-N-tert-butyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide
CID 97125831
4-fluoro-3-[(5R)-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]benzenesulfonamide
CID 97139609
(3-chloro-5-methoxyphenyl)-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
CID 135120395
8-(3-chloro-5-methoxybenzoyl)-3-(imidazol-1-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-1-one
CID 172662562
1'-(3-chlorobenzoyl)-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 53177037
7-chloro-1'-(3,5-dimethoxybenzoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 42875425
2-[1-(4-methylphenyl)cyclopropanecarbonyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72879316

Frequently Asked Questions

What is the IUPAC name of (5S)-2-(3-chloro-5-methoxybenzoyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5S)-2-(3-chloro-5-methoxybenzoyl)-2,7-diazaspiro[4.5]decan-6-one (CID 97128167) is (5S)-2-(3-chloro-5-methoxybenzoyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5S)-2-(3-chloro-5-methoxybenzoyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5S)-2-(3-chloro-5-methoxybenzoyl)-2,7-diazaspiro[4.5]decan-6-one is COc1cc(Cl)cc(C(=O)N2CC[C@@]3(CCCNC3=O)C2)c1.
What is the InChIKey of (5S)-2-(3-chloro-5-methoxybenzoyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is BDXQDCGAPGFSEI-INIZCTEOSA-N. The full InChI is InChI=1S/C16H19ClN2O3/c1-22-13-8-11(7-12(17)9-13)14(20)19-6-4-16(10-19)3-2-5-18-15(16)21/h7-9H,2-6,10H2,1H3,(H,18,21)/t16-/m0/s1.
What are the key properties of (5S)-2-(3-chloro-5-methoxybenzoyl)-2,7-diazaspiro[4.5]decan-6-one?
(5S)-2-(3-chloro-5-methoxybenzoyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 322.79 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-(3-chloro-5-methoxybenzoyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 97128167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).