(5S)-1-(cyclopropylmethyl)-5-(3,4-dichlorophenyl)-5-[2-(3-morpholin-4-ylazetidin-1-yl)ethyl]piperidin-2-one

C24H33Cl2N3O2 — CID 10972666

IUPAC(5S)-1-(cyclopropylmethyl)-5-(3,4-dichlorophenyl)-5-[2-(3-morpholin-4-ylazetidin-1-yl)ethyl]piperidin-2-one
SMILESO=C1CC[C@](CCN2CC(N3CCOCC3)C2)(c2ccc(Cl)c(Cl)c2)CN1CC1CC1
InChIInChI=1S/C24H33Cl2N3O2/c25-21-4-3-19(13-22(21)26)24(6-5-23(30)29(17-24)14-18-1-2-18)7-8-27-15-20(16-27)28-9-11-31-12-10-28/h3-4,13,18,20H,1-2,5-12,14-17H2/t24-/m1/s1
InChIKeyOMVAUXCXIPKTJF-XMMPIXPASA-N
MW466.45 g/mol
LogP3.67
Rot. Bonds7

About (5S)-1-(cyclopropylmethyl)-5-(3,4-dichlorophenyl)-5-[2-(3-morpholin-4-ylazetidin-1-yl)ethyl]piperidin-2-one

(5S)-1-(cyclopropylmethyl)-5-(3,4-dichlorophenyl)-5-[2-(3-morpholin-4-ylazetidin-1-yl)ethyl]piperidin-2-one (PubChem CID 10972666) has the molecular formula C24H33Cl2N3O2 and a molecular weight of 466.45 g/mol. Its IUPAC name is (5S)-1-(cyclopropylmethyl)-5-(3,4-dichlorophenyl)-5-[2-(3-morpholin-4-ylazetidin-1-yl)ethyl]piperidin-2-one.

Molecular Properties

Compound Name(5S)-1-(cyclopropylmethyl)-5-(3,4-dichlorophenyl)-5-[2-(3-morpholin-4-ylazetidin-1-yl)ethyl]piperidin-2-one
PubChem CID10972666
Molecular FormulaC24H33Cl2N3O2
Molecular Weight466.45 g/mol
Exact Mass465.19
IUPAC Name(5S)-1-(cyclopropylmethyl)-5-(3,4-dichlorophenyl)-5-[2-(3-morpholin-4-ylazetidin-1-yl)ethyl]piperidin-2-one
SMILESO=C1CC[C@](CCN2CC(N3CCOCC3)C2)(c2ccc(Cl)c(Cl)c2)CN1CC1CC1
InChIInChI=1S/C24H33Cl2N3O2/c25-21-4-3-19(13-22(21)26)24(6-5-23(30)29(17-24)14-18-1-2-18)7-8-27-15-20(16-27)28-9-11-31-12-10-28/h3-4,13,18,20H,1-2,5-12,14-17H2/t24-/m1/s1
InChIKeyOMVAUXCXIPKTJF-XMMPIXPASA-N
XLogP3.67
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.45
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5S)-1-(cyclopropylmethyl)-5-(3,4-dichlorophenyl)-5-[2-(3-morpholin-4-ylazetidin-1-yl)ethyl]piperidin-2-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

4-[1-[2-[(3S)-1-(cyclopropylmethyl)-3-(3,4-dichlorophenyl)-6-oxopiperidin-3-yl]ethyl]azetidin-3-yl]piperazine-1-sulfonamide
CID 9915372
UK-224671
CID 9807403
(S)-5-(3,4-Dichloro-phenyl)-1-(4,4-difluoro-cyclohexylmethyl)-5-{2-[3-(4-fluoro-piperidin-1-yl)-azetidin-1-yl]-ethyl}-piperidin-2-one
CID 9959481
1-[1-[2-[1-(Cyclopropylmethyl)-3-(3,4-dichlorophenyl)-6-oxopiperidin-3-yl]ethyl]azetidin-3-yl]piperidine-4-carboxylic acid
CID 21836542
1-Benzyl-5-(3,4-dichlorophenyl)-5-[2-(3-morpholin-4-ylazetidin-1-yl)ethyl]piperidin-2-one
CID 10918128
(5S)-1-(cyclohexylmethyl)-5-(3,4-dichlorophenyl)-5-[2-(3-morpholin-4-ylazetidin-1-yl)ethyl]piperidin-2-one
CID 10929285
5-(3,4-Dichlorophenyl)-1-[(2-methylphenyl)methyl]-5-[2-(3-morpholin-4-ylazetidin-1-yl)ethyl]piperidin-2-one
CID 11005795
1-Cyclohexyl-5-(3,4-dichlorophenyl)-5-[2-(3-morpholin-4-ylazetidin-1-yl)ethyl]piperidin-2-one
CID 44366788
(S)-1-(1-Cyclopropyl-cyclopentyl)-5-(3,4-dichloro-phenyl)-5-[2-(3-morpholin-4-yl-azetidin-1-yl)-ethyl]-piperidin-2-one
CID 44392318
(5S)-5-(3,4-dichlorophenyl)-1-[(4,4-difluorocyclohexyl)methyl]-5-[2-[3-(4-oxopiperidin-1-yl)azetidin-1-yl]ethyl]piperidin-2-one
CID 44392392
(5S)-5-(3,4-dichlorophenyl)-1-[(4,4-difluorocyclohexyl)methyl]-5-[2-[3-(4-hydroxypiperidin-1-yl)azetidin-1-yl]ethyl]piperidin-2-one
CID 44392439
N-[2-(3,4-Dichloro-phenyl)-4-(3-morpholin-4-yl-azetidin-1-yl)-butyl]-N-methyl-benzamide
CID 10005190

Frequently Asked Questions

What is the IUPAC name of (5S)-1-(cyclopropylmethyl)-5-(3,4-dichlorophenyl)-5-[2-(3-morpholin-4-ylazetidin-1-yl)ethyl]piperidin-2-one?
The IUPAC name of (5S)-1-(cyclopropylmethyl)-5-(3,4-dichlorophenyl)-5-[2-(3-morpholin-4-ylazetidin-1-yl)ethyl]piperidin-2-one (CID 10972666) is (5S)-1-(cyclopropylmethyl)-5-(3,4-dichlorophenyl)-5-[2-(3-morpholin-4-ylazetidin-1-yl)ethyl]piperidin-2-one.
What is the SMILES notation for (5S)-1-(cyclopropylmethyl)-5-(3,4-dichlorophenyl)-5-[2-(3-morpholin-4-ylazetidin-1-yl)ethyl]piperidin-2-one?
The canonical SMILES for (5S)-1-(cyclopropylmethyl)-5-(3,4-dichlorophenyl)-5-[2-(3-morpholin-4-ylazetidin-1-yl)ethyl]piperidin-2-one is O=C1CC[C@](CCN2CC(N3CCOCC3)C2)(c2ccc(Cl)c(Cl)c2)CN1CC1CC1.
What is the InChIKey of (5S)-1-(cyclopropylmethyl)-5-(3,4-dichlorophenyl)-5-[2-(3-morpholin-4-ylazetidin-1-yl)ethyl]piperidin-2-one?
The InChIKey is OMVAUXCXIPKTJF-XMMPIXPASA-N. The full InChI is InChI=1S/C24H33Cl2N3O2/c25-21-4-3-19(13-22(21)26)24(6-5-23(30)29(17-24)14-18-1-2-18)7-8-27-15-20(16-27)28-9-11-31-12-10-28/h3-4,13,18,20H,1-2,5-12,14-17H2/t24-/m1/s1.
What are the key properties of (5S)-1-(cyclopropylmethyl)-5-(3,4-dichlorophenyl)-5-[2-(3-morpholin-4-ylazetidin-1-yl)ethyl]piperidin-2-one?
(5S)-1-(cyclopropylmethyl)-5-(3,4-dichlorophenyl)-5-[2-(3-morpholin-4-ylazetidin-1-yl)ethyl]piperidin-2-one has a molecular weight of 466.45 g/mol, XLogP of 3.67, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-(cyclopropylmethyl)-5-(3,4-dichlorophenyl)-5-[2-(3-morpholin-4-ylazetidin-1-yl)ethyl]piperidin-2-one is sourced from PubChem (CID 10972666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).