8-(3-chlorobenzoyl)-2-(cyclopropylmethyl)-2,8-diazaspiro[4.5]decan-1-one

C19H23ClN2O2 — CID 97449792

IUPAC8-(3-chlorobenzoyl)-2-(cyclopropylmethyl)-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C(c1cccc(Cl)c1)N1CCC2(CC1)CCN(CC1CC1)C2=O
InChIInChI=1S/C19H23ClN2O2/c20-16-3-1-2-15(12-16)17(23)21-9-6-19(7-10-21)8-11-22(18(19)24)13-14-4-5-14/h1-3,12,14H,4-11,13H2
InChIKeyIFFQFLWZGQHTHU-UHFFFAOYSA-N
MW346.86 g/mol
LogP3.20
Rot. Bonds3

About 8-(3-chlorobenzoyl)-2-(cyclopropylmethyl)-2,8-diazaspiro[4.5]decan-1-one

8-(3-chlorobenzoyl)-2-(cyclopropylmethyl)-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 97449792) has the molecular formula C19H23ClN2O2 and a molecular weight of 346.86 g/mol. Its IUPAC name is 8-(3-chlorobenzoyl)-2-(cyclopropylmethyl)-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-(3-chlorobenzoyl)-2-(cyclopropylmethyl)-2,8-diazaspiro[4.5]decan-1-one
PubChem CID97449792
Molecular FormulaC19H23ClN2O2
Molecular Weight346.86 g/mol
Exact Mass346.14
IUPAC Name8-(3-chlorobenzoyl)-2-(cyclopropylmethyl)-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C(c1cccc(Cl)c1)N1CCC2(CC1)CCN(CC1CC1)C2=O
InChIInChI=1S/C19H23ClN2O2/c20-16-3-1-2-15(12-16)17(23)21-9-6-19(7-10-21)8-11-22(18(19)24)13-14-4-5-14/h1-3,12,14H,4-11,13H2
InChIKeyIFFQFLWZGQHTHU-UHFFFAOYSA-N
XLogP3.20
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5R)-2-(3-acetylbenzoyl)-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97148069
2-[2-(3-chlorophenyl)acetyl]-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72938057
(5S)-7-(cyclopropylmethyl)-2-(3-methoxybenzoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 26405234
(5S)-2-(3-chlorobenzoyl)-7-cyclohexyl-2,7-diazaspiro[4.5]decan-6-one
CID 97127071
(3-chlorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63248550
(3-chlorophenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 110869857
1-(3-chlorobenzoyl)-4-ethylpiperidine-4-carboxylic acid
CID 63124878
8-(3-fluorobenzoyl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-1-one
CID 97449711
1-(3-chlorobenzoyl)-4-phenylpiperidine-4-carboxylic acid
CID 45433186
(3-chlorophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 80551547
(5S)-2-(5-chloro-2-methoxybenzoyl)-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97140685
7-(cyclopropylmethyl)-2-(1-ethyl-2-oxopyridine-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72902847

Frequently Asked Questions

What is the IUPAC name of 8-(3-chlorobenzoyl)-2-(cyclopropylmethyl)-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-(3-chlorobenzoyl)-2-(cyclopropylmethyl)-2,8-diazaspiro[4.5]decan-1-one (CID 97449792) is 8-(3-chlorobenzoyl)-2-(cyclopropylmethyl)-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-(3-chlorobenzoyl)-2-(cyclopropylmethyl)-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-(3-chlorobenzoyl)-2-(cyclopropylmethyl)-2,8-diazaspiro[4.5]decan-1-one is O=C(c1cccc(Cl)c1)N1CCC2(CC1)CCN(CC1CC1)C2=O.
What is the InChIKey of 8-(3-chlorobenzoyl)-2-(cyclopropylmethyl)-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is IFFQFLWZGQHTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O2/c20-16-3-1-2-15(12-16)17(23)21-9-6-19(7-10-21)8-11-22(18(19)24)13-14-4-5-14/h1-3,12,14H,4-11,13H2.
What are the key properties of 8-(3-chlorobenzoyl)-2-(cyclopropylmethyl)-2,8-diazaspiro[4.5]decan-1-one?
8-(3-chlorobenzoyl)-2-(cyclopropylmethyl)-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 346.86 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-chlorobenzoyl)-2-(cyclopropylmethyl)-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 97449792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).