9-[(4-chlorophenyl)methyl]-2,9-diazaspiro[5.5]undecan-1-one

C16H21ClN2O — CID 95853385

IUPAC9-[(4-chlorophenyl)methyl]-2,9-diazaspiro[5.5]undecan-1-one
SMILESO=C1NCCCC12CCN(Cc1ccc(Cl)cc1)CC2
InChIInChI=1S/C16H21ClN2O/c17-14-4-2-13(3-5-14)12-19-10-7-16(8-11-19)6-1-9-18-15(16)20/h2-5H,1,6-12H2,(H,18,20)
InChIKeyZCUQZECEHAUYRV-UHFFFAOYSA-N
MW292.81 g/mol
LogP2.83
Rot. Bonds2

About 9-[(4-chlorophenyl)methyl]-2,9-diazaspiro[5.5]undecan-1-one

9-[(4-chlorophenyl)methyl]-2,9-diazaspiro[5.5]undecan-1-one (PubChem CID 95853385) has the molecular formula C16H21ClN2O and a molecular weight of 292.81 g/mol. Its IUPAC name is 9-[(4-chlorophenyl)methyl]-2,9-diazaspiro[5.5]undecan-1-one.

Molecular Properties

Compound Name9-[(4-chlorophenyl)methyl]-2,9-diazaspiro[5.5]undecan-1-one
PubChem CID95853385
Molecular FormulaC16H21ClN2O
Molecular Weight292.81 g/mol
Exact Mass292.13
IUPAC Name9-[(4-chlorophenyl)methyl]-2,9-diazaspiro[5.5]undecan-1-one
SMILESO=C1NCCCC12CCN(Cc1ccc(Cl)cc1)CC2
InChIInChI=1S/C16H21ClN2O/c17-14-4-2-13(3-5-14)12-19-10-7-16(8-11-19)6-1-9-18-15(16)20/h2-5H,1,6-12H2,(H,18,20)
InChIKeyZCUQZECEHAUYRV-UHFFFAOYSA-N
XLogP2.83
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9-benzyl-2,9-diazaspiro[5.5]undecan-1-one
CID 118960394
(9S)-3-[(4-chlorophenyl)methyl]-9-methyl-14-oxa-3,8,11-triazaspiro[5.12]octadecane-7,10-dione
CID 110065594
(5S)-2-[[6-(dimethylamino)-3-pyridinyl]methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97151956
1-[(4-chlorophenyl)methyl]-4,4-difluoropiperidine
CID 165493052
8-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)-1,3,8-triazaspiro[4.5]decan-4-one
CID 22022233
1'-[(4-propan-2-ylphenyl)methyl]spiro[11-oxa-1,8,14,15-tetrazabicyclo[11.2.1]hexadeca-13(16),14-diene-6,4'-piperidine]-7-one
CID 110065048
1-[(4-chlorophenyl)methyl]-1,4-diazepane
CID 15634377
7-chloro-1'-[(4-chlorophenyl)methyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 42875608
1-[(4-chlorophenyl)methyl]imidazolidin-2-one
CID 5076481
N-[2-(4-fluorophenyl)ethyl]-2-[(5R)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]acetamide
CID 97119496
(5S)-2-[(5-cyclohexylsulfanylfuran-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97139743
8-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-1-one
CID 97449681

Frequently Asked Questions

What is the IUPAC name of 9-[(4-chlorophenyl)methyl]-2,9-diazaspiro[5.5]undecan-1-one?
The IUPAC name of 9-[(4-chlorophenyl)methyl]-2,9-diazaspiro[5.5]undecan-1-one (CID 95853385) is 9-[(4-chlorophenyl)methyl]-2,9-diazaspiro[5.5]undecan-1-one.
What is the SMILES notation for 9-[(4-chlorophenyl)methyl]-2,9-diazaspiro[5.5]undecan-1-one?
The canonical SMILES for 9-[(4-chlorophenyl)methyl]-2,9-diazaspiro[5.5]undecan-1-one is O=C1NCCCC12CCN(Cc1ccc(Cl)cc1)CC2.
What is the InChIKey of 9-[(4-chlorophenyl)methyl]-2,9-diazaspiro[5.5]undecan-1-one?
The InChIKey is ZCUQZECEHAUYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O/c17-14-4-2-13(3-5-14)12-19-10-7-16(8-11-19)6-1-9-18-15(16)20/h2-5H,1,6-12H2,(H,18,20).
What are the key properties of 9-[(4-chlorophenyl)methyl]-2,9-diazaspiro[5.5]undecan-1-one?
9-[(4-chlorophenyl)methyl]-2,9-diazaspiro[5.5]undecan-1-one has a molecular weight of 292.81 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(4-chlorophenyl)methyl]-2,9-diazaspiro[5.5]undecan-1-one is sourced from PubChem (CID 95853385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).