(5S)-5-(3,4-dichlorophenyl)-5-[2-[3-(4-hydroxypiperidin-1-yl)azetidin-1-yl]ethyl]-1-pyridin-2-ylpiperidin-2-one

C26H32Cl2N4O2 — CID 58649183

IUPAC(5S)-5-(3,4-dichlorophenyl)-5-[2-[3-(4-hydroxypiperidin-1-yl)azetidin-1-yl]ethyl]-1-pyridin-2-ylpiperidin-2-one
SMILESO=C1CC[C@](CCN2CC(N3CCC(O)CC3)C2)(c2ccc(Cl)c(Cl)c2)CN1c1ccccn1
InChIInChI=1S/C26H32Cl2N4O2/c27-22-5-4-19(15-23(22)28)26(9-6-25(34)32(18-26)24-3-1-2-11-29-24)10-14-30-16-20(17-30)31-12-7-21(33)8-13-31/h1-5,11,15,20-21,33H,6-10,12-14,16-18H2/t26-/m1/s1
InChIKeyVKMXQROGNPVDGU-AREMUKBSSA-N
MW503.47 g/mol
LogP3.98
Rot. Bonds6

About (5S)-5-(3,4-dichlorophenyl)-5-[2-[3-(4-hydroxypiperidin-1-yl)azetidin-1-yl]ethyl]-1-pyridin-2-ylpiperidin-2-one

(5S)-5-(3,4-dichlorophenyl)-5-[2-[3-(4-hydroxypiperidin-1-yl)azetidin-1-yl]ethyl]-1-pyridin-2-ylpiperidin-2-one (PubChem CID 58649183) has the molecular formula C26H32Cl2N4O2 and a molecular weight of 503.47 g/mol. Its IUPAC name is (5S)-5-(3,4-dichlorophenyl)-5-[2-[3-(4-hydroxypiperidin-1-yl)azetidin-1-yl]ethyl]-1-pyridin-2-ylpiperidin-2-one.

Molecular Properties

Compound Name(5S)-5-(3,4-dichlorophenyl)-5-[2-[3-(4-hydroxypiperidin-1-yl)azetidin-1-yl]ethyl]-1-pyridin-2-ylpiperidin-2-one
PubChem CID58649183
Molecular FormulaC26H32Cl2N4O2
Molecular Weight503.47 g/mol
Exact Mass502.19
IUPAC Name(5S)-5-(3,4-dichlorophenyl)-5-[2-[3-(4-hydroxypiperidin-1-yl)azetidin-1-yl]ethyl]-1-pyridin-2-ylpiperidin-2-one
SMILESO=C1CC[C@](CCN2CC(N3CCC(O)CC3)C2)(c2ccc(Cl)c(Cl)c2)CN1c1ccccn1
InChIInChI=1S/C26H32Cl2N4O2/c27-22-5-4-19(15-23(22)28)26(9-6-25(34)32(18-26)24-3-1-2-11-29-24)10-14-30-16-20(17-30)31-12-7-21(33)8-13-31/h1-5,11,15,20-21,33H,6-10,12-14,16-18H2/t26-/m1/s1
InChIKeyVKMXQROGNPVDGU-AREMUKBSSA-N
XLogP3.98
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.47
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
N-[1-[2-[(3R)-3-(3,4-dichlorophenyl)-6-oxo-1-pyridin-2-ylpiperidin-3-yl]ethyl]piperidin-4-yl]benzenesulfonamide
CID 142254529
(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-methyl-2-pyridinyl)-5-[2-(3-morpholin-4-ylazetidin-1-yl)ethyl]piperidin-2-one
CID 22061319
5-(3,4-dichlorophenyl)-1-[6-(dimethylamino)-2-pyridinyl]-5-[2-(3-morpholin-4-ylazetidin-1-yl)ethyl]piperidin-2-one
CID 22061369
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
(5S)-1-(cyclopropylmethyl)-5-(3,4-dichlorophenyl)-5-[2-[3-(4-ethoxypiperidin-1-yl)azetidin-1-yl]ethyl]piperidin-2-one
CID 11038500
4-[1-[2-[(3S)-1-(cyclopropylmethyl)-3-(3,4-dichlorophenyl)-6-oxopiperidin-3-yl]ethyl]azetidin-3-yl]piperazine-1-carboxamide
CID 11049450
(5S)-5-(3,4-dichlorophenyl)-1-pyridin-2-yl-5-[2-(2-pyridin-4-yloxyethylamino)ethyl]piperidin-2-one
CID 58649102
5-(3,4-dichlorophenyl)-5-[2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]ethyl]-1-(6-methyl-2-pyridinyl)piperidin-2-one
CID 22061350

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(3,4-dichlorophenyl)-5-[2-[3-(4-hydroxypiperidin-1-yl)azetidin-1-yl]ethyl]-1-pyridin-2-ylpiperidin-2-one?
The IUPAC name of (5S)-5-(3,4-dichlorophenyl)-5-[2-[3-(4-hydroxypiperidin-1-yl)azetidin-1-yl]ethyl]-1-pyridin-2-ylpiperidin-2-one (CID 58649183) is (5S)-5-(3,4-dichlorophenyl)-5-[2-[3-(4-hydroxypiperidin-1-yl)azetidin-1-yl]ethyl]-1-pyridin-2-ylpiperidin-2-one.
What is the SMILES notation for (5S)-5-(3,4-dichlorophenyl)-5-[2-[3-(4-hydroxypiperidin-1-yl)azetidin-1-yl]ethyl]-1-pyridin-2-ylpiperidin-2-one?
The canonical SMILES for (5S)-5-(3,4-dichlorophenyl)-5-[2-[3-(4-hydroxypiperidin-1-yl)azetidin-1-yl]ethyl]-1-pyridin-2-ylpiperidin-2-one is O=C1CC[C@](CCN2CC(N3CCC(O)CC3)C2)(c2ccc(Cl)c(Cl)c2)CN1c1ccccn1.
What is the InChIKey of (5S)-5-(3,4-dichlorophenyl)-5-[2-[3-(4-hydroxypiperidin-1-yl)azetidin-1-yl]ethyl]-1-pyridin-2-ylpiperidin-2-one?
The InChIKey is VKMXQROGNPVDGU-AREMUKBSSA-N. The full InChI is InChI=1S/C26H32Cl2N4O2/c27-22-5-4-19(15-23(22)28)26(9-6-25(34)32(18-26)24-3-1-2-11-29-24)10-14-30-16-20(17-30)31-12-7-21(33)8-13-31/h1-5,11,15,20-21,33H,6-10,12-14,16-18H2/t26-/m1/s1.
What are the key properties of (5S)-5-(3,4-dichlorophenyl)-5-[2-[3-(4-hydroxypiperidin-1-yl)azetidin-1-yl]ethyl]-1-pyridin-2-ylpiperidin-2-one?
(5S)-5-(3,4-dichlorophenyl)-5-[2-[3-(4-hydroxypiperidin-1-yl)azetidin-1-yl]ethyl]-1-pyridin-2-ylpiperidin-2-one has a molecular weight of 503.47 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(3,4-dichlorophenyl)-5-[2-[3-(4-hydroxypiperidin-1-yl)azetidin-1-yl]ethyl]-1-pyridin-2-ylpiperidin-2-one is sourced from PubChem (CID 58649183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).