1-[3-[3-[2-(2-fluorophenyl)ethyl]piperidine-1-carbonyl]phenyl]imidazolidin-2-one

C23H26FN3O2 — CID 56866152

IUPAC1-[3-[3-[2-(2-fluorophenyl)ethyl]piperidine-1-carbonyl]phenyl]imidazolidin-2-one
SMILESO=C(c1cccc(N2CCNC2=O)c1)N1CCCC(CCc2ccccc2F)C1
InChIInChI=1S/C23H26FN3O2/c24-21-9-2-1-6-18(21)11-10-17-5-4-13-26(16-17)22(28)19-7-3-8-20(15-19)27-14-12-25-23(27)29/h1-3,6-9,15,17H,4-5,10-14,16H2,(H,25,29)
InChIKeyCFCHRNVTHCOEFO-UHFFFAOYSA-N
MW395.48 g/mol
LogP3.84
Rot. Bonds5

About 1-[3-[3-[2-(2-fluorophenyl)ethyl]piperidine-1-carbonyl]phenyl]imidazolidin-2-one

1-[3-[3-[2-(2-fluorophenyl)ethyl]piperidine-1-carbonyl]phenyl]imidazolidin-2-one (PubChem CID 56866152) has the molecular formula C23H26FN3O2 and a molecular weight of 395.48 g/mol. Its IUPAC name is 1-[3-[3-[2-(2-fluorophenyl)ethyl]piperidine-1-carbonyl]phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[3-[3-[2-(2-fluorophenyl)ethyl]piperidine-1-carbonyl]phenyl]imidazolidin-2-one
PubChem CID56866152
Molecular FormulaC23H26FN3O2
Molecular Weight395.48 g/mol
Exact Mass395.20
IUPAC Name1-[3-[3-[2-(2-fluorophenyl)ethyl]piperidine-1-carbonyl]phenyl]imidazolidin-2-one
SMILESO=C(c1cccc(N2CCNC2=O)c1)N1CCCC(CCc2ccccc2F)C1
InChIInChI=1S/C23H26FN3O2/c24-21-9-2-1-6-18(21)11-10-17-5-4-13-26(16-17)22(28)19-7-3-8-20(15-19)27-14-12-25-23(27)29/h1-3,6-9,15,17H,4-5,10-14,16H2,(H,25,29)
InChIKeyCFCHRNVTHCOEFO-UHFFFAOYSA-N
XLogP3.84
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(3S)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 95463500
7-[3-[2-(2-fluorophenyl)ethyl]piperidine-1-carbonyl]-3-methylquinazolin-4-one
CID 56878661
[3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-(3-hydroxyphenyl)methanone
CID 56872892
2-[(3S)-3-[2-(2-fluorophenyl)ethyl]piperidine-1-carbonyl]benzonitrile
CID 95463717
[3-(2-aminoethyl)piperidin-1-yl]-(3-fluorophenyl)methanone
CID 63767654
[(3R)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-(furan-2-yl)methanone
CID 42239830
(3-fluoro-2-methoxyphenyl)-[(3R)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methanone
CID 95550301
(1-aminocyclopropyl)-[(3S)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methanone
CID 95552859
3-[3-[2-(4-fluorophenyl)ethyl]piperidine-1-carbonyl]benzonitrile
CID 56872040
[(3R)-3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]-(4-hydroxy-3-methylphenyl)methanone
CID 95553293
[(3R)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-(oxan-4-yl)methanone
CID 25384762
[(3R)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 42395196

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-[2-(2-fluorophenyl)ethyl]piperidine-1-carbonyl]phenyl]imidazolidin-2-one?
The IUPAC name of 1-[3-[3-[2-(2-fluorophenyl)ethyl]piperidine-1-carbonyl]phenyl]imidazolidin-2-one (CID 56866152) is 1-[3-[3-[2-(2-fluorophenyl)ethyl]piperidine-1-carbonyl]phenyl]imidazolidin-2-one.
What is the SMILES notation for 1-[3-[3-[2-(2-fluorophenyl)ethyl]piperidine-1-carbonyl]phenyl]imidazolidin-2-one?
The canonical SMILES for 1-[3-[3-[2-(2-fluorophenyl)ethyl]piperidine-1-carbonyl]phenyl]imidazolidin-2-one is O=C(c1cccc(N2CCNC2=O)c1)N1CCCC(CCc2ccccc2F)C1.
What is the InChIKey of 1-[3-[3-[2-(2-fluorophenyl)ethyl]piperidine-1-carbonyl]phenyl]imidazolidin-2-one?
The InChIKey is CFCHRNVTHCOEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O2/c24-21-9-2-1-6-18(21)11-10-17-5-4-13-26(16-17)22(28)19-7-3-8-20(15-19)27-14-12-25-23(27)29/h1-3,6-9,15,17H,4-5,10-14,16H2,(H,25,29).
What are the key properties of 1-[3-[3-[2-(2-fluorophenyl)ethyl]piperidine-1-carbonyl]phenyl]imidazolidin-2-one?
1-[3-[3-[2-(2-fluorophenyl)ethyl]piperidine-1-carbonyl]phenyl]imidazolidin-2-one has a molecular weight of 395.48 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-[2-(2-fluorophenyl)ethyl]piperidine-1-carbonyl]phenyl]imidazolidin-2-one is sourced from PubChem (CID 56866152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).