1-[(5-chloro-3,3-dimethyl-2H-1-benzofuran-7-yl)methyl]-9-methyl-1,9-diazaspiro[4.5]decan-10-one

C20H27ClN2O2 — CID 162630647

IUPAC1-[(5-chloro-3,3-dimethyl-2H-1-benzofuran-7-yl)methyl]-9-methyl-1,9-diazaspiro[4.5]decan-10-one
SMILESCN1CCCC2(CCCN2Cc2cc(Cl)cc3c2OCC3(C)C)C1=O
InChIInChI=1S/C20H27ClN2O2/c1-19(2)13-25-17-14(10-15(21)11-16(17)19)12-23-9-5-7-20(23)6-4-8-22(3)18(20)24/h10-11H,4-9,12-13H2,1-3H3
InChIKeyJVDHKFRPZOZLPS-UHFFFAOYSA-N
MW362.90 g/mol
LogP3.60
Rot. Bonds2

About 1-[(5-chloro-3,3-dimethyl-2H-1-benzofuran-7-yl)methyl]-9-methyl-1,9-diazaspiro[4.5]decan-10-one

1-[(5-chloro-3,3-dimethyl-2H-1-benzofuran-7-yl)methyl]-9-methyl-1,9-diazaspiro[4.5]decan-10-one (PubChem CID 162630647) has the molecular formula C20H27ClN2O2 and a molecular weight of 362.90 g/mol. Its IUPAC name is 1-[(5-chloro-3,3-dimethyl-2H-1-benzofuran-7-yl)methyl]-9-methyl-1,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name1-[(5-chloro-3,3-dimethyl-2H-1-benzofuran-7-yl)methyl]-9-methyl-1,9-diazaspiro[4.5]decan-10-one
PubChem CID162630647
Molecular FormulaC20H27ClN2O2
Molecular Weight362.90 g/mol
Exact Mass362.18
IUPAC Name1-[(5-chloro-3,3-dimethyl-2H-1-benzofuran-7-yl)methyl]-9-methyl-1,9-diazaspiro[4.5]decan-10-one
SMILESCN1CCCC2(CCCN2Cc2cc(Cl)cc3c2OCC3(C)C)C1=O
InChIInChI=1S/C20H27ClN2O2/c1-19(2)13-25-17-14(10-15(21)11-16(17)19)12-23-9-5-7-20(23)6-4-8-22(3)18(20)24/h10-11H,4-9,12-13H2,1-3H3
InChIKeyJVDHKFRPZOZLPS-UHFFFAOYSA-N
XLogP3.60
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.90
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(5-chloro-3,3-dimethyl-2H-1-benzofuran-7-yl)methyl]-9-methyl-1,9-diazaspiro[4.5]decan-10-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

1-[(6-chloro-2H-chromen-3-yl)methyl]-9-methyl-1,9-diazaspiro[4.5]decan-10-one
CID 163314072
1-[(2,3-difluorophenyl)methyl]-9-methyl-1,9-diazaspiro[4.5]decan-10-one
CID 163317379
3-[(5-chloro-3,3-dimethyl-2H-1-benzofuran-7-yl)methyl]-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one
CID 154816218
acetic acid;(1S,5R)-7-[(5-chloro-3,3-dimethyl-2H-1-benzofuran-7-yl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one
CID 171321941
9-methyl-1-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]-1,9-diazaspiro[4.5]decan-10-one
CID 162633253
9-methyl-1-[(4-pyridin-2-ylphenyl)methyl]-1,9-diazaspiro[4.5]decan-10-one
CID 162635016
9-methyl-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-1,9-diazaspiro[4.5]decan-10-one
CID 162628944
1-[(6-methoxy-3-pyridinyl)methyl]-9-methyl-1,9-diazaspiro[4.5]decan-10-one
CID 162635875
(1R,2S,3R,4R)-6-[(5-chloro-3,3-dimethyl-2H-1-benzofuran-7-yl)methyl]-1-(hydroxymethyl)-2-phenyl-6-azaspiro[2.4]heptan-4-ol
CID 155502064
1-[(4-chloro-2-fluorophenyl)methyl]-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162625681
2,4-dichloro-6-[(2,2-dimethylpyrrolidin-1-yl)methyl]phenol
CID 82979885
1-[(2-chloro-4-fluorophenyl)methyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one
CID 162638158

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-3,3-dimethyl-2H-1-benzofuran-7-yl)methyl]-9-methyl-1,9-diazaspiro[4.5]decan-10-one?
The IUPAC name of 1-[(5-chloro-3,3-dimethyl-2H-1-benzofuran-7-yl)methyl]-9-methyl-1,9-diazaspiro[4.5]decan-10-one (CID 162630647) is 1-[(5-chloro-3,3-dimethyl-2H-1-benzofuran-7-yl)methyl]-9-methyl-1,9-diazaspiro[4.5]decan-10-one.
What is the SMILES notation for 1-[(5-chloro-3,3-dimethyl-2H-1-benzofuran-7-yl)methyl]-9-methyl-1,9-diazaspiro[4.5]decan-10-one?
The canonical SMILES for 1-[(5-chloro-3,3-dimethyl-2H-1-benzofuran-7-yl)methyl]-9-methyl-1,9-diazaspiro[4.5]decan-10-one is CN1CCCC2(CCCN2Cc2cc(Cl)cc3c2OCC3(C)C)C1=O.
What is the InChIKey of 1-[(5-chloro-3,3-dimethyl-2H-1-benzofuran-7-yl)methyl]-9-methyl-1,9-diazaspiro[4.5]decan-10-one?
The InChIKey is JVDHKFRPZOZLPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27ClN2O2/c1-19(2)13-25-17-14(10-15(21)11-16(17)19)12-23-9-5-7-20(23)6-4-8-22(3)18(20)24/h10-11H,4-9,12-13H2,1-3H3.
What are the key properties of 1-[(5-chloro-3,3-dimethyl-2H-1-benzofuran-7-yl)methyl]-9-methyl-1,9-diazaspiro[4.5]decan-10-one?
1-[(5-chloro-3,3-dimethyl-2H-1-benzofuran-7-yl)methyl]-9-methyl-1,9-diazaspiro[4.5]decan-10-one has a molecular weight of 362.90 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-3,3-dimethyl-2H-1-benzofuran-7-yl)methyl]-9-methyl-1,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 162630647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).