2-[(4-chlorophenyl)methyl]-8-[[(2R)-1-methylpiperidin-2-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one

C22H32ClN3O — CID 97276894

IUPAC2-[(4-chlorophenyl)methyl]-8-[[(2R)-1-methylpiperidin-2-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESCN1CCCC[C@@H]1CN1CCC2(CC1)CC(=O)N(Cc1ccc(Cl)cc1)C2
InChIInChI=1S/C22H32ClN3O/c1-24-11-3-2-4-20(24)16-25-12-9-22(10-13-25)14-21(27)26(17-22)15-18-5-7-19(23)8-6-18/h5-8,20H,2-4,9-17H2,1H3/t20-/m1/s1
InChIKeyCLDWYDOWWKQPCI-HXUWFJFHSA-N
MW389.97 g/mol
LogP3.64
Rot. Bonds4

About 2-[(4-chlorophenyl)methyl]-8-[[(2R)-1-methylpiperidin-2-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one

2-[(4-chlorophenyl)methyl]-8-[[(2R)-1-methylpiperidin-2-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 97276894) has the molecular formula C22H32ClN3O and a molecular weight of 389.97 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl]-8-[[(2R)-1-methylpiperidin-2-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl]-8-[[(2R)-1-methylpiperidin-2-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one
PubChem CID97276894
Molecular FormulaC22H32ClN3O
Molecular Weight389.97 g/mol
Exact Mass389.22
IUPAC Name2-[(4-chlorophenyl)methyl]-8-[[(2R)-1-methylpiperidin-2-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESCN1CCCC[C@@H]1CN1CCC2(CC1)CC(=O)N(Cc1ccc(Cl)cc1)C2
InChIInChI=1S/C22H32ClN3O/c1-24-11-3-2-4-20(24)16-25-12-9-22(10-13-25)14-21(27)26(17-22)15-18-5-7-19(23)8-6-18/h5-8,20H,2-4,9-17H2,1H3/t20-/m1/s1
InChIKeyCLDWYDOWWKQPCI-HXUWFJFHSA-N
XLogP3.64
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.97
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chlorophenyl)methyl]-8-cyclopentyl-2,8-diazaspiro[4.5]decan-3-one
CID 72852011
2-[(4-chlorophenyl)methyl]-8-[(2S)-3-hydroxy-2-methylpropyl]-2,8-diazaspiro[4.5]decan-3-one
CID 70783678
2-[(3,4-difluorophenyl)methyl]-8-ethyl-2,8-diazaspiro[4.5]decan-3-one
CID 70728701
2-[(3,4-difluorophenyl)methyl]-8-(oxolan-3-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one
CID 70757546
butyl 2-[(4-chlorophenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 72881410
methyl 2-[[2-[(4-chlorophenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl]amino]acetate
CID 70748143
1-[(4-methoxyphenyl)methyl]-4-[(1-methylpiperidin-2-yl)methyl]piperazine
CID 75439284
2-[(4-chlorophenyl)methyl]-8-[(2S)-3-hydroxy-2-(methylamino)propanoyl]-2,8-diazaspiro[4.5]decan-3-one;hydrochloride
CID 154897310
2-[(4-chlorophenyl)methyl]-8-[6-(dimethylamino)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-3-one
CID 72842368
8-[3-(3-chlorophenyl)propyl]-2-[(4-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one;cyclopropanecarbaldehyde
CID 142988104
2-[(4-chlorophenyl)methyl]-8-(2-imidazol-1-ylacetyl)-2,8-diazaspiro[4.5]decan-3-one
CID 72841661
2-benzyl-9-[[(2R)-oxan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97136898

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl]-8-[[(2R)-1-methylpiperidin-2-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 2-[(4-chlorophenyl)methyl]-8-[[(2R)-1-methylpiperidin-2-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one (CID 97276894) is 2-[(4-chlorophenyl)methyl]-8-[[(2R)-1-methylpiperidin-2-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl]-8-[[(2R)-1-methylpiperidin-2-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 2-[(4-chlorophenyl)methyl]-8-[[(2R)-1-methylpiperidin-2-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one is CN1CCCC[C@@H]1CN1CCC2(CC1)CC(=O)N(Cc1ccc(Cl)cc1)C2.
What is the InChIKey of 2-[(4-chlorophenyl)methyl]-8-[[(2R)-1-methylpiperidin-2-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is CLDWYDOWWKQPCI-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H32ClN3O/c1-24-11-3-2-4-20(24)16-25-12-9-22(10-13-25)14-21(27)26(17-22)15-18-5-7-19(23)8-6-18/h5-8,20H,2-4,9-17H2,1H3/t20-/m1/s1.
What are the key properties of 2-[(4-chlorophenyl)methyl]-8-[[(2R)-1-methylpiperidin-2-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one?
2-[(4-chlorophenyl)methyl]-8-[[(2R)-1-methylpiperidin-2-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 389.97 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl]-8-[[(2R)-1-methylpiperidin-2-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 97276894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).