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

C29H31Cl2N3O — CID 22061388

IUPAC5-(3,4-dichlorophenyl)-5-[2-(4-phenylpiperidin-1-yl)ethyl]-1-pyridin-2-ylpiperidin-2-one
SMILESO=C1CCC(CCN2CCC(c3ccccc3)CC2)(c2ccc(Cl)c(Cl)c2)CN1c1ccccn1
InChIInChI=1S/C29H31Cl2N3O/c30-25-10-9-24(20-26(25)31)29(14-11-28(35)34(21-29)27-8-4-5-16-32-27)15-19-33-17-12-23(13-18-33)22-6-2-1-3-7-22/h1-10,16,20,23H,11-15,17-19,21H2
InChIKeyUAGIWVYIMKXOCJ-UHFFFAOYSA-N
MW508.49 g/mol
LogP6.72
Rot. Bonds6

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

5-(3,4-dichlorophenyl)-5-[2-(4-phenylpiperidin-1-yl)ethyl]-1-pyridin-2-ylpiperidin-2-one (PubChem CID 22061388) has the molecular formula C29H31Cl2N3O and a molecular weight of 508.49 g/mol. Its IUPAC name is 5-(3,4-dichlorophenyl)-5-[2-(4-phenylpiperidin-1-yl)ethyl]-1-pyridin-2-ylpiperidin-2-one.

Molecular Properties

Compound Name5-(3,4-dichlorophenyl)-5-[2-(4-phenylpiperidin-1-yl)ethyl]-1-pyridin-2-ylpiperidin-2-one
PubChem CID22061388
Molecular FormulaC29H31Cl2N3O
Molecular Weight508.49 g/mol
Exact Mass507.18
IUPAC Name5-(3,4-dichlorophenyl)-5-[2-(4-phenylpiperidin-1-yl)ethyl]-1-pyridin-2-ylpiperidin-2-one
SMILESO=C1CCC(CCN2CCC(c3ccccc3)CC2)(c2ccc(Cl)c(Cl)c2)CN1c1ccccn1
InChIInChI=1S/C29H31Cl2N3O/c30-25-10-9-24(20-26(25)31)29(14-11-28(35)34(21-29)27-8-4-5-16-32-27)15-19-33-17-12-23(13-18-33)22-6-2-1-3-7-22/h1-10,16,20,23H,11-15,17-19,21H2
InChIKeyUAGIWVYIMKXOCJ-UHFFFAOYSA-N
XLogP6.72
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.49
LogP ≤ 56.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-(3,4-dichlorophenyl)-5-[2-(4-phenylpiperidin-1-yl)ethyl]-1-pyridin-2-ylpiperidin-2-one with MolForge

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Related Compounds

N-[1-[2-[(3R)-3-(3,4-dichlorophenyl)-6-oxo-1-pyridin-2-ylpiperidin-3-yl]ethyl]piperidin-4-yl]benzenesulfonamide
CID 142254529
N-[1-[2-[3-(3,4-dichlorophenyl)-6-oxo-1-pyridin-2-ylpiperidin-3-yl]ethyl]pyrrolidin-3-yl]-N-methylacetamide
CID 21030043
(5S)-5-(3,4-dichlorophenyl)-5-[2-[3-(4-hydroxypiperidin-1-yl)azetidin-1-yl]ethyl]-1-pyridin-2-ylpiperidin-2-one
CID 58649183
(5S)-5-(3,4-dichlorophenyl)-5-(2,2-dimethoxyethyl)-1-pyridin-2-ylpiperidin-2-one
CID 58649130
(5S)-5-(3,4-dichlorophenyl)-1-pyridin-2-yl-5-[2-(2-pyridin-4-yloxyethylamino)ethyl]piperidin-2-one
CID 58649102
bis(1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(3,4-dichlorophenyl)-4-[2-(4-phenylpiperidin-1-yl)ethyl]pyrrolidin-2-one);hydrate;dihydrochloride
CID 131721073
5-(3,4-dichlorophenyl)-5-[2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]ethyl]-1-(6-methyl-2-pyridinyl)piperidin-2-one
CID 22061350
[(3R)-3-(3,4-dichlorophenyl)-3-[3-(4-phenylpiperidin-1-yl)propyl]piperidin-1-yl]-phenylmethanone
CID 15406580
(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-[3-(3,4-dichlorophenyl)-3-[3-(4-phenylpiperidin-1-yl)propyl]piperidin-1-yl]-3-methylbut-2-en-1-one
CID 100991092

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dichlorophenyl)-5-[2-(4-phenylpiperidin-1-yl)ethyl]-1-pyridin-2-ylpiperidin-2-one?
The IUPAC name of 5-(3,4-dichlorophenyl)-5-[2-(4-phenylpiperidin-1-yl)ethyl]-1-pyridin-2-ylpiperidin-2-one (CID 22061388) is 5-(3,4-dichlorophenyl)-5-[2-(4-phenylpiperidin-1-yl)ethyl]-1-pyridin-2-ylpiperidin-2-one.
What is the SMILES notation for 5-(3,4-dichlorophenyl)-5-[2-(4-phenylpiperidin-1-yl)ethyl]-1-pyridin-2-ylpiperidin-2-one?
The canonical SMILES for 5-(3,4-dichlorophenyl)-5-[2-(4-phenylpiperidin-1-yl)ethyl]-1-pyridin-2-ylpiperidin-2-one is O=C1CCC(CCN2CCC(c3ccccc3)CC2)(c2ccc(Cl)c(Cl)c2)CN1c1ccccn1.
What is the InChIKey of 5-(3,4-dichlorophenyl)-5-[2-(4-phenylpiperidin-1-yl)ethyl]-1-pyridin-2-ylpiperidin-2-one?
The InChIKey is UAGIWVYIMKXOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31Cl2N3O/c30-25-10-9-24(20-26(25)31)29(14-11-28(35)34(21-29)27-8-4-5-16-32-27)15-19-33-17-12-23(13-18-33)22-6-2-1-3-7-22/h1-10,16,20,23H,11-15,17-19,21H2.
What are the key properties of 5-(3,4-dichlorophenyl)-5-[2-(4-phenylpiperidin-1-yl)ethyl]-1-pyridin-2-ylpiperidin-2-one?
5-(3,4-dichlorophenyl)-5-[2-(4-phenylpiperidin-1-yl)ethyl]-1-pyridin-2-ylpiperidin-2-one has a molecular weight of 508.49 g/mol, XLogP of 6.72, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dichlorophenyl)-5-[2-(4-phenylpiperidin-1-yl)ethyl]-1-pyridin-2-ylpiperidin-2-one is sourced from PubChem (CID 22061388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).