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

C20H25ClN2O3 — CID 97140685

IUPAC(5S)-2-(5-chloro-2-methoxybenzoyl)-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCOc1ccc(Cl)cc1C(=O)N1CC[C@@]2(CCCN(CC3CC3)C2=O)C1
InChIInChI=1S/C20H25ClN2O3/c1-26-17-6-5-15(21)11-16(17)18(24)23-10-8-20(13-23)7-2-9-22(19(20)25)12-14-3-4-14/h5-6,11,14H,2-4,7-10,12-13H2,1H3/t20-/m0/s1
InChIKeyNJDXLYISNQNYRO-FQEVSTJZSA-N
MW376.88 g/mol
LogP3.21
Rot. Bonds4

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

(5S)-2-(5-chloro-2-methoxybenzoyl)-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 97140685) has the molecular formula C20H25ClN2O3 and a molecular weight of 376.88 g/mol. Its IUPAC name is (5S)-2-(5-chloro-2-methoxybenzoyl)-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5S)-2-(5-chloro-2-methoxybenzoyl)-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID97140685
Molecular FormulaC20H25ClN2O3
Molecular Weight376.88 g/mol
Exact Mass376.16
IUPAC Name(5S)-2-(5-chloro-2-methoxybenzoyl)-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCOc1ccc(Cl)cc1C(=O)N1CC[C@@]2(CCCN(CC3CC3)C2=O)C1
InChIInChI=1S/C20H25ClN2O3/c1-26-17-6-5-15(21)11-16(17)18(24)23-10-8-20(13-23)7-2-9-22(19(20)25)12-14-3-4-14/h5-6,11,14H,2-4,7-10,12-13H2,1H3/t20-/m0/s1
InChIKeyNJDXLYISNQNYRO-FQEVSTJZSA-N
XLogP3.21
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.88
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (5S)-2-(5-chloro-2-methoxybenzoyl)-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5R)-7-(cyclopropylmethyl)-2-(2-methoxybenzoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 25311849
7-(cyclopropylmethyl)-2-(2-methoxypyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45237711
7-(cyclopropylmethyl)-2-(2-propoxybenzoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72882284
2-[2-(3-chlorophenyl)acetyl]-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72938057
(5S)-2-(4-chloro-1-methylpyrrole-2-carbonyl)-7-(cyclobutylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97110657
(5R)-2-(3-acetylbenzoyl)-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97148069
7-(cyclopropylmethyl)-2-(1-ethyl-2-oxopyridine-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72902847
7-(cyclopropylmethyl)-2-(5-propyl-1H-pyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72883794
(5S)-7-(cyclopropylmethyl)-2-(6-oxo-1H-pyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97125382
(5R)-7-(cyclopropylmethyl)-2-[2-(2-methylphenoxy)acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97127379
8-(5-chloro-2-methoxybenzoyl)-3-(pyrrolidin-1-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-1-one
CID 172659816
5-[(5S)-7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]-1-methylpyrrole-3-carbonitrile
CID 97152613

Frequently Asked Questions

What is the IUPAC name of (5S)-2-(5-chloro-2-methoxybenzoyl)-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5S)-2-(5-chloro-2-methoxybenzoyl)-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one (CID 97140685) is (5S)-2-(5-chloro-2-methoxybenzoyl)-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5S)-2-(5-chloro-2-methoxybenzoyl)-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5S)-2-(5-chloro-2-methoxybenzoyl)-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one is COc1ccc(Cl)cc1C(=O)N1CC[C@@]2(CCCN(CC3CC3)C2=O)C1.
What is the InChIKey of (5S)-2-(5-chloro-2-methoxybenzoyl)-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is NJDXLYISNQNYRO-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H25ClN2O3/c1-26-17-6-5-15(21)11-16(17)18(24)23-10-8-20(13-23)7-2-9-22(19(20)25)12-14-3-4-14/h5-6,11,14H,2-4,7-10,12-13H2,1H3/t20-/m0/s1.
What are the key properties of (5S)-2-(5-chloro-2-methoxybenzoyl)-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one?
(5S)-2-(5-chloro-2-methoxybenzoyl)-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 376.88 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-(5-chloro-2-methoxybenzoyl)-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 97140685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).