1-[4-[2-[3-(3-fluoroanilino)piperidin-1-yl]-2-oxoethyl]phenyl]imidazolidin-2-one

C22H25FN4O2 — CID 24816831

IUPAC1-[4-[2-[3-(3-fluoroanilino)piperidin-1-yl]-2-oxoethyl]phenyl]imidazolidin-2-one
SMILESO=C(Cc1ccc(N2CCNC2=O)cc1)N1CCCC(Nc2cccc(F)c2)C1
InChIInChI=1S/C22H25FN4O2/c23-17-3-1-4-18(14-17)25-19-5-2-11-26(15-19)21(28)13-16-6-8-20(9-7-16)27-12-10-24-22(27)29/h1,3-4,6-9,14,19,25H,2,5,10-13,15H2,(H,24,29)
InChIKeyPQECBEMXTOMQEC-UHFFFAOYSA-N
MW396.47 g/mol
LogP3.00
Rot. Bonds5

About 1-[4-[2-[3-(3-fluoroanilino)piperidin-1-yl]-2-oxoethyl]phenyl]imidazolidin-2-one

1-[4-[2-[3-(3-fluoroanilino)piperidin-1-yl]-2-oxoethyl]phenyl]imidazolidin-2-one (PubChem CID 24816831) has the molecular formula C22H25FN4O2 and a molecular weight of 396.47 g/mol. Its IUPAC name is 1-[4-[2-[3-(3-fluoroanilino)piperidin-1-yl]-2-oxoethyl]phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[4-[2-[3-(3-fluoroanilino)piperidin-1-yl]-2-oxoethyl]phenyl]imidazolidin-2-one
PubChem CID24816831
Molecular FormulaC22H25FN4O2
Molecular Weight396.47 g/mol
Exact Mass396.20
IUPAC Name1-[4-[2-[3-(3-fluoroanilino)piperidin-1-yl]-2-oxoethyl]phenyl]imidazolidin-2-one
SMILESO=C(Cc1ccc(N2CCNC2=O)cc1)N1CCCC(Nc2cccc(F)c2)C1
InChIInChI=1S/C22H25FN4O2/c23-17-3-1-4-18(14-17)25-19-5-2-11-26(15-19)21(28)13-16-6-8-20(9-7-16)27-12-10-24-22(27)29/h1,3-4,6-9,14,19,25H,2,5,10-13,15H2,(H,24,29)
InChIKeyPQECBEMXTOMQEC-UHFFFAOYSA-N
XLogP3.00
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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N,N'-((4-(dimethylamino)phenyl)methylene)bis(2-phenylacetamide)
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1,3,8-Triazaspiro(4.5)decan-4-one, 8-(4-(p-fluorophenyl)butyl)-1-phenyl-
CID 120580
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Spiperone hydrochloride
CID 11957687
3,4-Difluoro-N-(2-(4-(2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)ethyl)benzamide
CID 25105698
4-Methyl-N-(2-(4-(2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)ethyl)benzamide
CID 25105701
N-(2-(4-(2-Oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)ethyl)-4-vinylbenzamide
CID 25105702
(1R,2R)-N-(2-(4-(2-Oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)ethyl)-2-phenylcyclopropanecarboxamide
CID 25105706
4-Fluoro-N-(4-fluorobenzoyl)-N-(2-(4-(2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)ethyl)benzamide
CID 25105711

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[3-(3-fluoroanilino)piperidin-1-yl]-2-oxoethyl]phenyl]imidazolidin-2-one?
The IUPAC name of 1-[4-[2-[3-(3-fluoroanilino)piperidin-1-yl]-2-oxoethyl]phenyl]imidazolidin-2-one (CID 24816831) is 1-[4-[2-[3-(3-fluoroanilino)piperidin-1-yl]-2-oxoethyl]phenyl]imidazolidin-2-one.
What is the SMILES notation for 1-[4-[2-[3-(3-fluoroanilino)piperidin-1-yl]-2-oxoethyl]phenyl]imidazolidin-2-one?
The canonical SMILES for 1-[4-[2-[3-(3-fluoroanilino)piperidin-1-yl]-2-oxoethyl]phenyl]imidazolidin-2-one is O=C(Cc1ccc(N2CCNC2=O)cc1)N1CCCC(Nc2cccc(F)c2)C1.
What is the InChIKey of 1-[4-[2-[3-(3-fluoroanilino)piperidin-1-yl]-2-oxoethyl]phenyl]imidazolidin-2-one?
The InChIKey is PQECBEMXTOMQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O2/c23-17-3-1-4-18(14-17)25-19-5-2-11-26(15-19)21(28)13-16-6-8-20(9-7-16)27-12-10-24-22(27)29/h1,3-4,6-9,14,19,25H,2,5,10-13,15H2,(H,24,29).
What are the key properties of 1-[4-[2-[3-(3-fluoroanilino)piperidin-1-yl]-2-oxoethyl]phenyl]imidazolidin-2-one?
1-[4-[2-[3-(3-fluoroanilino)piperidin-1-yl]-2-oxoethyl]phenyl]imidazolidin-2-one has a molecular weight of 396.47 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[3-(3-fluoroanilino)piperidin-1-yl]-2-oxoethyl]phenyl]imidazolidin-2-one is sourced from PubChem (CID 24816831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).