5-(3,4-dichlorophenyl)-1-(6-methyl-2-pyridinyl)-5-[2-(3-morpholin-4-ylazetidin-1-yl)ethyl]piperidin-2-one

C26H32Cl2N4O2 — CID 22061319

IUPAC5-(3,4-dichlorophenyl)-1-(6-methyl-2-pyridinyl)-5-[2-(3-morpholin-4-ylazetidin-1-yl)ethyl]piperidin-2-one
SMILESCc1cccc(N2CC(CCN3CC(N4CCOCC4)C3)(c3ccc(Cl)c(Cl)c3)CCC2=O)n1
InChIInChI=1S/C26H32Cl2N4O2/c1-19-3-2-4-24(29-19)32-18-26(8-7-25(32)33,20-5-6-22(27)23(28)15-20)9-10-30-16-21(17-30)31-11-13-34-14-12-31/h2-6,15,21H,7-14,16-18H2,1H3
InChIKeyQSVLQKNGLPNDES-UHFFFAOYSA-N
MW503.47 g/mol
LogP4.17
Rot. Bonds6

About 5-(3,4-dichlorophenyl)-1-(6-methyl-2-pyridinyl)-5-[2-(3-morpholin-4-ylazetidin-1-yl)ethyl]piperidin-2-one

5-(3,4-dichlorophenyl)-1-(6-methyl-2-pyridinyl)-5-[2-(3-morpholin-4-ylazetidin-1-yl)ethyl]piperidin-2-one (PubChem CID 22061319) has the molecular formula C26H32Cl2N4O2 and a molecular weight of 503.47 g/mol. Its IUPAC name is 5-(3,4-dichlorophenyl)-1-(6-methyl-2-pyridinyl)-5-[2-(3-morpholin-4-ylazetidin-1-yl)ethyl]piperidin-2-one.

Molecular Properties

Compound Name5-(3,4-dichlorophenyl)-1-(6-methyl-2-pyridinyl)-5-[2-(3-morpholin-4-ylazetidin-1-yl)ethyl]piperidin-2-one
PubChem CID22061319
Molecular FormulaC26H32Cl2N4O2
Molecular Weight503.47 g/mol
Exact Mass502.19
IUPAC Name5-(3,4-dichlorophenyl)-1-(6-methyl-2-pyridinyl)-5-[2-(3-morpholin-4-ylazetidin-1-yl)ethyl]piperidin-2-one
SMILESCc1cccc(N2CC(CCN3CC(N4CCOCC4)C3)(c3ccc(Cl)c(Cl)c3)CCC2=O)n1
InChIInChI=1S/C26H32Cl2N4O2/c1-19-3-2-4-24(29-19)32-18-26(8-7-25(32)33,20-5-6-22(27)23(28)15-20)9-10-30-16-21(17-30)31-11-13-34-14-12-31/h2-6,15,21H,7-14,16-18H2,1H3
InChIKeyQSVLQKNGLPNDES-UHFFFAOYSA-N
XLogP4.17
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.47
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5S)-5-(3,4-dichlorophenyl)-1-(6-methyl-2-pyridinyl)-5-[2-(3-morpholin-4-ylazetidin-1-yl)ethyl]piperidin-2-one
CID 58649164
5-(3,4-dichlorophenyl)-1-[6-(dimethylamino)-2-pyridinyl]-5-[2-(3-morpholin-4-ylazetidin-1-yl)ethyl]piperidin-2-one
CID 22061369
5-(3,4-dichlorophenyl)-5-[2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]ethyl]-1-(6-methyl-2-pyridinyl)piperidin-2-one
CID 22061350
(5S)-5-(3,4-dichlorophenyl)-5-[2-[3-(4-hydroxypiperidin-1-yl)azetidin-1-yl]ethyl]-1-pyridin-2-ylpiperidin-2-one
CID 58649183
2-[(3S)-3-(3,4-dichlorophenyl)-1-(6-methyl-2-pyridinyl)-6-oxopiperidin-3-yl]acetaldehyde
CID 58649119
(3S)-1-(2-cyclopropylethyl)-3-(3,4-dichlorophenyl)-3-[2-(3-morpholin-4-ylazetidin-1-yl)ethyl]piperidine-2,6-dione
CID 54213994
5-(3,4-dichlorophenyl)-5-[2-(4-phenylpiperidin-1-yl)ethyl]-1-pyridin-2-ylpiperidin-2-one
CID 22061388
N-[1-[2-[3-(3,4-dichlorophenyl)-6-oxo-1-pyridin-2-ylpiperidin-3-yl]ethyl]pyrrolidin-3-yl]-N-methylacetamide
CID 21030043
1-benzyl-5-(3,4-dichlorophenyl)-5-[2-[3-(3-hydroxypiperidin-1-yl)azetidin-1-yl]ethyl]piperidin-2-one
CID 11827396
(5S)-5-(3,4-dichlorophenyl)-5-(2,2-dimethoxyethyl)-1-pyridin-2-ylpiperidin-2-one
CID 58649130
4-[1-[2-[(3S)-1-(cyclopropylmethyl)-3-(3,4-dichlorophenyl)-6-oxopiperidin-3-yl]ethyl]azetidin-3-yl]piperidine-1-sulfonamide
CID 102007115
4-[1-[2-[(3S)-1-(2-cyclopropylethyl)-3-(3,4-dichlorophenyl)-2,6-dioxopiperidin-3-yl]ethyl]azetidin-3-yl]piperazine-1-sulfonamide
CID 54514752

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dichlorophenyl)-1-(6-methyl-2-pyridinyl)-5-[2-(3-morpholin-4-ylazetidin-1-yl)ethyl]piperidin-2-one?
The IUPAC name of 5-(3,4-dichlorophenyl)-1-(6-methyl-2-pyridinyl)-5-[2-(3-morpholin-4-ylazetidin-1-yl)ethyl]piperidin-2-one (CID 22061319) is 5-(3,4-dichlorophenyl)-1-(6-methyl-2-pyridinyl)-5-[2-(3-morpholin-4-ylazetidin-1-yl)ethyl]piperidin-2-one.
What is the SMILES notation for 5-(3,4-dichlorophenyl)-1-(6-methyl-2-pyridinyl)-5-[2-(3-morpholin-4-ylazetidin-1-yl)ethyl]piperidin-2-one?
The canonical SMILES for 5-(3,4-dichlorophenyl)-1-(6-methyl-2-pyridinyl)-5-[2-(3-morpholin-4-ylazetidin-1-yl)ethyl]piperidin-2-one is Cc1cccc(N2CC(CCN3CC(N4CCOCC4)C3)(c3ccc(Cl)c(Cl)c3)CCC2=O)n1.
What is the InChIKey of 5-(3,4-dichlorophenyl)-1-(6-methyl-2-pyridinyl)-5-[2-(3-morpholin-4-ylazetidin-1-yl)ethyl]piperidin-2-one?
The InChIKey is QSVLQKNGLPNDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32Cl2N4O2/c1-19-3-2-4-24(29-19)32-18-26(8-7-25(32)33,20-5-6-22(27)23(28)15-20)9-10-30-16-21(17-30)31-11-13-34-14-12-31/h2-6,15,21H,7-14,16-18H2,1H3.
What are the key properties of 5-(3,4-dichlorophenyl)-1-(6-methyl-2-pyridinyl)-5-[2-(3-morpholin-4-ylazetidin-1-yl)ethyl]piperidin-2-one?
5-(3,4-dichlorophenyl)-1-(6-methyl-2-pyridinyl)-5-[2-(3-morpholin-4-ylazetidin-1-yl)ethyl]piperidin-2-one has a molecular weight of 503.47 g/mol, XLogP of 4.17, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dichlorophenyl)-1-(6-methyl-2-pyridinyl)-5-[2-(3-morpholin-4-ylazetidin-1-yl)ethyl]piperidin-2-one is sourced from PubChem (CID 22061319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).