4-[3-[4-(4-chloro-3-fluoro-5-methoxyphenyl)piperidin-1-yl]-3-oxopropyl]-5-hydroxy-4-methylimidazolidin-2-one

C19H25ClFN3O4 — CID 146652433

IUPAC4-[3-[4-(4-chloro-3-fluoro-5-methoxyphenyl)piperidin-1-yl]-3-oxopropyl]-5-hydroxy-4-methylimidazolidin-2-one
SMILESCOc1cc(C2CCN(C(=O)CCC3(C)NC(=O)NC3O)CC2)cc(F)c1Cl
InChIInChI=1S/C19H25ClFN3O4/c1-19(17(26)22-18(27)23-19)6-3-15(25)24-7-4-11(5-8-24)12-9-13(21)16(20)14(10-12)28-2/h9-11,17,26H,3-8H2,1-2H3,(H2,22,23,27)
InChIKeyAFQIHAWARKQKJD-UHFFFAOYSA-N
MW413.88 g/mol
LogP2.36
Rot. Bonds5

About 4-[3-[4-(4-chloro-3-fluoro-5-methoxyphenyl)piperidin-1-yl]-3-oxopropyl]-5-hydroxy-4-methylimidazolidin-2-one

4-[3-[4-(4-chloro-3-fluoro-5-methoxyphenyl)piperidin-1-yl]-3-oxopropyl]-5-hydroxy-4-methylimidazolidin-2-one (PubChem CID 146652433) has the molecular formula C19H25ClFN3O4 and a molecular weight of 413.88 g/mol. Its IUPAC name is 4-[3-[4-(4-chloro-3-fluoro-5-methoxyphenyl)piperidin-1-yl]-3-oxopropyl]-5-hydroxy-4-methylimidazolidin-2-one.

Molecular Properties

Compound Name4-[3-[4-(4-chloro-3-fluoro-5-methoxyphenyl)piperidin-1-yl]-3-oxopropyl]-5-hydroxy-4-methylimidazolidin-2-one
PubChem CID146652433
Molecular FormulaC19H25ClFN3O4
Molecular Weight413.88 g/mol
Exact Mass413.15
IUPAC Name4-[3-[4-(4-chloro-3-fluoro-5-methoxyphenyl)piperidin-1-yl]-3-oxopropyl]-5-hydroxy-4-methylimidazolidin-2-one
SMILESCOc1cc(C2CCN(C(=O)CCC3(C)NC(=O)NC3O)CC2)cc(F)c1Cl
InChIInChI=1S/C19H25ClFN3O4/c1-19(17(26)22-18(27)23-19)6-3-15(25)24-7-4-11(5-8-24)12-9-13(21)16(20)14(10-12)28-2/h9-11,17,26H,3-8H2,1-2H3,(H2,22,23,27)
InChIKeyAFQIHAWARKQKJD-UHFFFAOYSA-N
XLogP2.36
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.88
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(4-chloro-3-fluoro-5-methoxyphenyl)piperidin-1-yl]propan-1-one
CID 146652443
5-[3-[4-(3,4-dichloro-5-methoxyphenyl)piperidin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione
CID 139529999
3-[3-[4-(3-chloro-4-fluoro-5-methoxyphenyl)piperidin-1-yl]-3-oxopropyl]-3-methylpyrrolidine-2,5-dione
CID 153204130
5-[3-[4-(4-chloro-2-methoxyphenyl)piperidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 139529972
(5S)-5-[3-[4-(4-chloro-3-ethyl-5-methoxyphenyl)piperidin-1-yl]-2-methyl-3-oxopropyl]-5-(methoxymethyl)imidazolidine-2,4-dione
CID 139530005
5-[3-[4-(4-fluoro-3,5-dimethoxyphenyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione
CID 155773708
5-methyl-5-[3-oxo-3-(4-phenylpiperidin-1-yl)propyl]imidazolidine-2,4-dione;molecular hydrogen
CID 145414351
(5R)-5-[(4-fluoro-3-methoxyphenyl)methyl]-5-[3-[(3S)-3-(4-fluorophenyl)pyrrolidin-1-yl]-3-oxopropyl]pyrrolidin-2-one
CID 42434770
(5S)-5-[3-[(3R)-3-(2-chlorophenyl)pyrrolidin-1-yl]-3-oxopropyl]-5-[(4-fluoro-3-methoxyphenyl)methyl]pyrrolidin-2-one
CID 42406236
(3S)-3-[3-[4-(3,5-dichloro-2-methoxyphenyl)piperidin-1-yl]-3-oxopropyl]-3-methylpyrrolidine-2,5-dione
CID 159101733
ethane;1-[4-(2-fluoro-4-methoxy-5-methylphenyl)piperidin-1-yl]propan-1-one;methanol
CID 143502107
2-chloro-1-[4-(3,4-difluorophenyl)piperidin-1-yl]ethanone
CID 166403888

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(4-chloro-3-fluoro-5-methoxyphenyl)piperidin-1-yl]-3-oxopropyl]-5-hydroxy-4-methylimidazolidin-2-one?
The IUPAC name of 4-[3-[4-(4-chloro-3-fluoro-5-methoxyphenyl)piperidin-1-yl]-3-oxopropyl]-5-hydroxy-4-methylimidazolidin-2-one (CID 146652433) is 4-[3-[4-(4-chloro-3-fluoro-5-methoxyphenyl)piperidin-1-yl]-3-oxopropyl]-5-hydroxy-4-methylimidazolidin-2-one.
What is the SMILES notation for 4-[3-[4-(4-chloro-3-fluoro-5-methoxyphenyl)piperidin-1-yl]-3-oxopropyl]-5-hydroxy-4-methylimidazolidin-2-one?
The canonical SMILES for 4-[3-[4-(4-chloro-3-fluoro-5-methoxyphenyl)piperidin-1-yl]-3-oxopropyl]-5-hydroxy-4-methylimidazolidin-2-one is COc1cc(C2CCN(C(=O)CCC3(C)NC(=O)NC3O)CC2)cc(F)c1Cl.
What is the InChIKey of 4-[3-[4-(4-chloro-3-fluoro-5-methoxyphenyl)piperidin-1-yl]-3-oxopropyl]-5-hydroxy-4-methylimidazolidin-2-one?
The InChIKey is AFQIHAWARKQKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClFN3O4/c1-19(17(26)22-18(27)23-19)6-3-15(25)24-7-4-11(5-8-24)12-9-13(21)16(20)14(10-12)28-2/h9-11,17,26H,3-8H2,1-2H3,(H2,22,23,27).
What are the key properties of 4-[3-[4-(4-chloro-3-fluoro-5-methoxyphenyl)piperidin-1-yl]-3-oxopropyl]-5-hydroxy-4-methylimidazolidin-2-one?
4-[3-[4-(4-chloro-3-fluoro-5-methoxyphenyl)piperidin-1-yl]-3-oxopropyl]-5-hydroxy-4-methylimidazolidin-2-one has a molecular weight of 413.88 g/mol, XLogP of 2.36, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(4-chloro-3-fluoro-5-methoxyphenyl)piperidin-1-yl]-3-oxopropyl]-5-hydroxy-4-methylimidazolidin-2-one is sourced from PubChem (CID 146652433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).