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

C21H27ClN2O2 — CID 97127071

IUPAC(5S)-2-(3-chlorobenzoyl)-7-cyclohexyl-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C(c1cccc(Cl)c1)N1CC[C@@]2(CCCN(C3CCCCC3)C2=O)C1
InChIInChI=1S/C21H27ClN2O2/c22-17-7-4-6-16(14-17)19(25)23-13-11-21(15-23)10-5-12-24(20(21)26)18-8-2-1-3-9-18/h4,6-7,14,18H,1-3,5,8-13,15H2/t21-/m0/s1
InChIKeyMXZRAOSWIVLYQT-NRFANRHFSA-N
MW374.91 g/mol
LogP4.13
Rot. Bonds2

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

(5S)-2-(3-chlorobenzoyl)-7-cyclohexyl-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 97127071) has the molecular formula C21H27ClN2O2 and a molecular weight of 374.91 g/mol. Its IUPAC name is (5S)-2-(3-chlorobenzoyl)-7-cyclohexyl-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5S)-2-(3-chlorobenzoyl)-7-cyclohexyl-2,7-diazaspiro[4.5]decan-6-one
PubChem CID97127071
Molecular FormulaC21H27ClN2O2
Molecular Weight374.91 g/mol
Exact Mass374.18
IUPAC Name(5S)-2-(3-chlorobenzoyl)-7-cyclohexyl-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C(c1cccc(Cl)c1)N1CC[C@@]2(CCCN(C3CCCCC3)C2=O)C1
InChIInChI=1S/C21H27ClN2O2/c22-17-7-4-6-16(14-17)19(25)23-13-11-21(15-23)10-5-12-24(20(21)26)18-8-2-1-3-9-18/h4,6-7,14,18H,1-3,5,8-13,15H2/t21-/m0/s1
InChIKeyMXZRAOSWIVLYQT-NRFANRHFSA-N
XLogP4.13
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.91
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5R)-7-cyclohexyl-2-(2-fluorobenzoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97138081
(5R)-7-cyclohexyl-2-(1-methylpyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97156474
(5S)-7-cyclohexyl-N,N-dimethyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide
CID 97124799
7-cyclopentyl-2-(4-fluoro-2-methylbenzoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72939478
8-(3-chlorobenzoyl)-2-(cyclopropylmethyl)-2,8-diazaspiro[4.5]decan-1-one
CID 97449792
7-cyclopentyl-2-(5-methoxyfuran-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72928464
1-[(5R)-7-cyclohexyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-(1-methylpyrrol-2-yl)ethane-1,2-dione
CID 97118865
7-cyclohexyl-2-(4-methylpiperazine-1-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72865312
2-(4-hydroxycyclohexyl)-9-(pyridine-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one
CID 11689002
(5S)-7-cyclohexyl-2-(2-pyridin-2-ylacetyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97120073
(5R)-2-(3-acetylbenzoyl)-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97148069
(5S)-7-cyclohexyl-2-(oxane-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97120893

Frequently Asked Questions

What is the IUPAC name of (5S)-2-(3-chlorobenzoyl)-7-cyclohexyl-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5S)-2-(3-chlorobenzoyl)-7-cyclohexyl-2,7-diazaspiro[4.5]decan-6-one (CID 97127071) is (5S)-2-(3-chlorobenzoyl)-7-cyclohexyl-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5S)-2-(3-chlorobenzoyl)-7-cyclohexyl-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5S)-2-(3-chlorobenzoyl)-7-cyclohexyl-2,7-diazaspiro[4.5]decan-6-one is O=C(c1cccc(Cl)c1)N1CC[C@@]2(CCCN(C3CCCCC3)C2=O)C1.
What is the InChIKey of (5S)-2-(3-chlorobenzoyl)-7-cyclohexyl-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is MXZRAOSWIVLYQT-NRFANRHFSA-N. The full InChI is InChI=1S/C21H27ClN2O2/c22-17-7-4-6-16(14-17)19(25)23-13-11-21(15-23)10-5-12-24(20(21)26)18-8-2-1-3-9-18/h4,6-7,14,18H,1-3,5,8-13,15H2/t21-/m0/s1.
What are the key properties of (5S)-2-(3-chlorobenzoyl)-7-cyclohexyl-2,7-diazaspiro[4.5]decan-6-one?
(5S)-2-(3-chlorobenzoyl)-7-cyclohexyl-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 374.91 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-(3-chlorobenzoyl)-7-cyclohexyl-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 97127071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).