1-[(4-chlorophenyl)methyl]-7-cycloheptyl-1,7-diazaspiro[4.4]nonan-6-one

C21H29ClN2O — CID 67355110

IUPAC1-[(4-chlorophenyl)methyl]-7-cycloheptyl-1,7-diazaspiro[4.4]nonan-6-one
SMILESO=C1N(C2CCCCCC2)CCC12CCCN2Cc1ccc(Cl)cc1
InChIInChI=1S/C21H29ClN2O/c22-18-10-8-17(9-11-18)16-23-14-5-12-21(23)13-15-24(20(21)25)19-6-3-1-2-4-7-19/h8-11,19H,1-7,12-16H2
InChIKeyXSOBDQHHIJERPG-UHFFFAOYSA-N
MW360.93 g/mol
LogP4.63
Rot. Bonds3

About 1-[(4-chlorophenyl)methyl]-7-cycloheptyl-1,7-diazaspiro[4.4]nonan-6-one

1-[(4-chlorophenyl)methyl]-7-cycloheptyl-1,7-diazaspiro[4.4]nonan-6-one (PubChem CID 67355110) has the molecular formula C21H29ClN2O and a molecular weight of 360.93 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-7-cycloheptyl-1,7-diazaspiro[4.4]nonan-6-one.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-7-cycloheptyl-1,7-diazaspiro[4.4]nonan-6-one
PubChem CID67355110
Molecular FormulaC21H29ClN2O
Molecular Weight360.93 g/mol
Exact Mass360.20
IUPAC Name1-[(4-chlorophenyl)methyl]-7-cycloheptyl-1,7-diazaspiro[4.4]nonan-6-one
SMILESO=C1N(C2CCCCCC2)CCC12CCCN2Cc1ccc(Cl)cc1
InChIInChI=1S/C21H29ClN2O/c22-18-10-8-17(9-11-18)16-23-14-5-12-21(23)13-15-24(20(21)25)19-6-3-1-2-4-7-19/h8-11,19H,1-7,12-16H2
InChIKeyXSOBDQHHIJERPG-UHFFFAOYSA-N
XLogP4.63
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.93
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-(4-Chlorobenzyl)piperazin-1-yl]-1-methylpyrrolidine-2,5-dione
CID 580799
1-[(4-Chlorophenyl)methyl]-7-cyclohexyl-1,7-diazaspiro[4.4]nonan-6-one
CID 24758866
1-[(4-Chlorophenyl)methyl]-7-(4-hydroxycyclohexyl)-1,7-diazaspiro[4.4]nonan-6-one
CID 24759743
1-[(4-Chlorophenyl)methyl]-7-(oxan-4-yl)-1,7-diazaspiro[4.4]nonan-6-one
CID 24759744
(2S)-N-[(4-chlorophenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide
CID 49864950
1-[(4-Chlorophenyl)methyl]-7-cyclopentyl-1,7-diazaspiro[4.4]nonan-6-one
CID 67356162
5-[2-[(4-Chlorophenyl)methylamino]ethyl]-1-[(1-piperidin-1-ylcyclopentyl)methyl]pyrrolidin-2-one
CID 45488779
(2S)-N-[(2,4-dichlorophenyl)methyl]-N,1-dimethyl-5-oxopyrrolidine-2-carboxamide
CID 49865011
(3S,5S)-1-[(4-chlorophenyl)methyl]-7-cyclohexyl-3-fluoro-1,7-diazaspiro[4.4]nonan-6-one
CID 168284089
N-[(2,4-dichlorophenyl)methyl]-2-methyl-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide
CID 59303320
(2S)-N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-methyl-1-[(2R)-5-oxopyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
CID 76072702
1-[(2-chlorophenyl)methyl]-N-cyclopentyl-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 4103165

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-7-cycloheptyl-1,7-diazaspiro[4.4]nonan-6-one?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-7-cycloheptyl-1,7-diazaspiro[4.4]nonan-6-one (CID 67355110) is 1-[(4-chlorophenyl)methyl]-7-cycloheptyl-1,7-diazaspiro[4.4]nonan-6-one.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-7-cycloheptyl-1,7-diazaspiro[4.4]nonan-6-one?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-7-cycloheptyl-1,7-diazaspiro[4.4]nonan-6-one is O=C1N(C2CCCCCC2)CCC12CCCN2Cc1ccc(Cl)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-7-cycloheptyl-1,7-diazaspiro[4.4]nonan-6-one?
The InChIKey is XSOBDQHHIJERPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29ClN2O/c22-18-10-8-17(9-11-18)16-23-14-5-12-21(23)13-15-24(20(21)25)19-6-3-1-2-4-7-19/h8-11,19H,1-7,12-16H2.
What are the key properties of 1-[(4-chlorophenyl)methyl]-7-cycloheptyl-1,7-diazaspiro[4.4]nonan-6-one?
1-[(4-chlorophenyl)methyl]-7-cycloheptyl-1,7-diazaspiro[4.4]nonan-6-one has a molecular weight of 360.93 g/mol, XLogP of 4.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-7-cycloheptyl-1,7-diazaspiro[4.4]nonan-6-one is sourced from PubChem (CID 67355110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).