9-methyl-1-[(4-pyridin-2-ylphenyl)methyl]-1,9-diazaspiro[4.5]decan-10-one

C21H25N3O — CID 162635016

IUPAC9-methyl-1-[(4-pyridin-2-ylphenyl)methyl]-1,9-diazaspiro[4.5]decan-10-one
SMILESCN1CCCC2(CCCN2Cc2ccc(-c3ccccn3)cc2)C1=O
InChIInChI=1S/C21H25N3O/c1-23-14-4-11-21(20(23)25)12-5-15-24(21)16-17-7-9-18(10-8-17)19-6-2-3-13-22-19/h2-3,6-10,13H,4-5,11-12,14-16H2,1H3
InChIKeyZMADQKMTBVGDSU-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.34
Rot. Bonds3

About 9-methyl-1-[(4-pyridin-2-ylphenyl)methyl]-1,9-diazaspiro[4.5]decan-10-one

9-methyl-1-[(4-pyridin-2-ylphenyl)methyl]-1,9-diazaspiro[4.5]decan-10-one (PubChem CID 162635016) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is 9-methyl-1-[(4-pyridin-2-ylphenyl)methyl]-1,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name9-methyl-1-[(4-pyridin-2-ylphenyl)methyl]-1,9-diazaspiro[4.5]decan-10-one
PubChem CID162635016
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC Name9-methyl-1-[(4-pyridin-2-ylphenyl)methyl]-1,9-diazaspiro[4.5]decan-10-one
SMILESCN1CCCC2(CCCN2Cc2ccc(-c3ccccn3)cc2)C1=O
InChIInChI=1S/C21H25N3O/c1-23-14-4-11-21(20(23)25)12-5-15-24(21)16-17-7-9-18(10-8-17)19-6-2-3-13-22-19/h2-3,6-10,13H,4-5,11-12,14-16H2,1H3
InChIKeyZMADQKMTBVGDSU-UHFFFAOYSA-N
XLogP3.34
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(6-methoxy-3-pyridinyl)methyl]-9-methyl-1,9-diazaspiro[4.5]decan-10-one
CID 162635875
9-methyl-1-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]-1,9-diazaspiro[4.5]decan-10-one
CID 162633253
1-[(2,3-difluorophenyl)methyl]-9-methyl-1,9-diazaspiro[4.5]decan-10-one
CID 163317379
9-methyl-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-1,9-diazaspiro[4.5]decan-10-one
CID 162628944
9-benzyl-1-[(4-chlorophenyl)methyl]-1,9-diazaspiro[4.5]decan-10-one
CID 163317012
formic acid;9-methyl-1-[[4-(3-morpholin-4-ylpropoxy)phenyl]methyl]-1,9-diazaspiro[4.5]decan-10-one
CID 171317278
9-propyl-1-[(4-pyrazol-1-ylphenyl)methyl]-1,9-diazaspiro[4.5]decan-10-one
CID 162634042
(4R,5R)-4-methoxy-7-[(4-pyridin-2-ylphenyl)methyl]-7-azaspiro[4.5]decane
CID 165427222
1-[(2-amino-3-pyridinyl)methyl]-9-benzyl-1,9-diazaspiro[4.5]decan-10-one
CID 162628202
1-benzyl-1-azaspiro[4.4]nonan-9-one
CID 138106111
1-benzyl-7-[(1R)-1-phenylethyl]-1,7-diazaspiro[4.4]nonan-6-one
CID 73013443
2-[4-[(9-benzyl-10-oxo-1,9-diazaspiro[4.5]decan-1-yl)methyl]phenyl]acetic acid
CID 163311970

Frequently Asked Questions

What is the IUPAC name of 9-methyl-1-[(4-pyridin-2-ylphenyl)methyl]-1,9-diazaspiro[4.5]decan-10-one?
The IUPAC name of 9-methyl-1-[(4-pyridin-2-ylphenyl)methyl]-1,9-diazaspiro[4.5]decan-10-one (CID 162635016) is 9-methyl-1-[(4-pyridin-2-ylphenyl)methyl]-1,9-diazaspiro[4.5]decan-10-one.
What is the SMILES notation for 9-methyl-1-[(4-pyridin-2-ylphenyl)methyl]-1,9-diazaspiro[4.5]decan-10-one?
The canonical SMILES for 9-methyl-1-[(4-pyridin-2-ylphenyl)methyl]-1,9-diazaspiro[4.5]decan-10-one is CN1CCCC2(CCCN2Cc2ccc(-c3ccccn3)cc2)C1=O.
What is the InChIKey of 9-methyl-1-[(4-pyridin-2-ylphenyl)methyl]-1,9-diazaspiro[4.5]decan-10-one?
The InChIKey is ZMADQKMTBVGDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O/c1-23-14-4-11-21(20(23)25)12-5-15-24(21)16-17-7-9-18(10-8-17)19-6-2-3-13-22-19/h2-3,6-10,13H,4-5,11-12,14-16H2,1H3.
What are the key properties of 9-methyl-1-[(4-pyridin-2-ylphenyl)methyl]-1,9-diazaspiro[4.5]decan-10-one?
9-methyl-1-[(4-pyridin-2-ylphenyl)methyl]-1,9-diazaspiro[4.5]decan-10-one has a molecular weight of 335.45 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-1-[(4-pyridin-2-ylphenyl)methyl]-1,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 162635016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).