1-[1-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]piperidin-4-yl]-3-phenylurea

C22H25FN4O2 — CID 146130760

IUPAC1-[1-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]piperidin-4-yl]-3-phenylurea
SMILESO=C(Nc1ccccc1)NC1CCN(C2CCN(c3ccc(F)cc3)C2=O)CC1
InChIInChI=1S/C22H25FN4O2/c23-16-6-8-19(9-7-16)27-15-12-20(21(27)28)26-13-10-18(11-14-26)25-22(29)24-17-4-2-1-3-5-17/h1-9,18,20H,10-15H2,(H2,24,25,29)
InChIKeyMJJWNOUAFNVAMM-UHFFFAOYSA-N
MW396.47 g/mol
LogP3.22
Rot. Bonds4

About 1-[1-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]piperidin-4-yl]-3-phenylurea

1-[1-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]piperidin-4-yl]-3-phenylurea (PubChem CID 146130760) has the molecular formula C22H25FN4O2 and a molecular weight of 396.47 g/mol. Its IUPAC name is 1-[1-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]piperidin-4-yl]-3-phenylurea.

Molecular Properties

Compound Name1-[1-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]piperidin-4-yl]-3-phenylurea
PubChem CID146130760
Molecular FormulaC22H25FN4O2
Molecular Weight396.47 g/mol
Exact Mass396.20
IUPAC Name1-[1-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]piperidin-4-yl]-3-phenylurea
SMILESO=C(Nc1ccccc1)NC1CCN(C2CCN(c3ccc(F)cc3)C2=O)CC1
InChIInChI=1S/C22H25FN4O2/c23-16-6-8-19(9-7-16)27-15-12-20(21(27)28)26-13-10-18(11-14-26)25-22(29)24-17-4-2-1-3-5-17/h1-9,18,20H,10-15H2,(H2,24,25,29)
InChIKeyMJJWNOUAFNVAMM-UHFFFAOYSA-N
XLogP3.22
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-cyclopropylpyrrolidin-3-yl)-3-phenylurea
CID 47816038
3-[(4-fluorophenyl)carbamoylamino]-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]pyrrolidine-1-carboxamide
CID 154839202
1-(1-benzylpiperidin-4-yl)-3-(4-fluorophenyl)urea
CID 6465310
1-cyclopropyl-3-(4-fluorophenyl)urea
CID 840492
1-(1-methanidylpiperidin-4-yl)-3-phenylurea;yttrium
CID 59803141
1-[1-(2-aminobenzoyl)piperidin-4-yl]-3-(4-fluorophenyl)urea
CID 119944747
1-[1-(oxolan-3-yl)piperidin-4-yl]-3-phenylurea
CID 71855491
1-(4-ethoxyphenyl)-3-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]urea
CID 71838878
1-(azetidin-3-yl)-3-phenylurea
CID 66185847
N-(2-fluorophenyl)-4-(phenylcarbamoylamino)piperidine-1-carboxamide
CID 47815472
(3S)-1-phenyl-3-piperazin-1-ylpyrrolidin-2-one;dihydrochloride
CID 67060834
1-[1-[4-(4-fluorophenyl)phenyl]-2-oxopiperidin-3-yl]-3-(4-methylphenyl)urea
CID 163572506

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]piperidin-4-yl]-3-phenylurea?
The IUPAC name of 1-[1-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]piperidin-4-yl]-3-phenylurea (CID 146130760) is 1-[1-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]piperidin-4-yl]-3-phenylurea.
What is the SMILES notation for 1-[1-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]piperidin-4-yl]-3-phenylurea?
The canonical SMILES for 1-[1-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]piperidin-4-yl]-3-phenylurea is O=C(Nc1ccccc1)NC1CCN(C2CCN(c3ccc(F)cc3)C2=O)CC1.
What is the InChIKey of 1-[1-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]piperidin-4-yl]-3-phenylurea?
The InChIKey is MJJWNOUAFNVAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O2/c23-16-6-8-19(9-7-16)27-15-12-20(21(27)28)26-13-10-18(11-14-26)25-22(29)24-17-4-2-1-3-5-17/h1-9,18,20H,10-15H2,(H2,24,25,29).
What are the key properties of 1-[1-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]piperidin-4-yl]-3-phenylurea?
1-[1-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]piperidin-4-yl]-3-phenylurea has a molecular weight of 396.47 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]piperidin-4-yl]-3-phenylurea is sourced from PubChem (CID 146130760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).