1-(4-fluorophenyl)-3-[1-[2-(methylamino)acetyl]piperidin-4-yl]urea

C15H21FN4O2 — CID 119734443

IUPAC1-(4-fluorophenyl)-3-[1-[2-(methylamino)acetyl]piperidin-4-yl]urea
SMILESCNCC(=O)N1CCC(NC(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C15H21FN4O2/c1-17-10-14(21)20-8-6-13(7-9-20)19-15(22)18-12-4-2-11(16)3-5-12/h2-5,13,17H,6-10H2,1H3,(H2,18,19,22)
InChIKeyVUWZNFOLUSGZBT-UHFFFAOYSA-N
MW308.36 g/mol
LogP1.16
Rot. Bonds4

About 1-(4-fluorophenyl)-3-[1-[2-(methylamino)acetyl]piperidin-4-yl]urea

1-(4-fluorophenyl)-3-[1-[2-(methylamino)acetyl]piperidin-4-yl]urea (PubChem CID 119734443) has the molecular formula C15H21FN4O2 and a molecular weight of 308.36 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[1-[2-(methylamino)acetyl]piperidin-4-yl]urea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[1-[2-(methylamino)acetyl]piperidin-4-yl]urea
PubChem CID119734443
Molecular FormulaC15H21FN4O2
Molecular Weight308.36 g/mol
Exact Mass308.16
IUPAC Name1-(4-fluorophenyl)-3-[1-[2-(methylamino)acetyl]piperidin-4-yl]urea
SMILESCNCC(=O)N1CCC(NC(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C15H21FN4O2/c1-17-10-14(21)20-8-6-13(7-9-20)19-15(22)18-12-4-2-11(16)3-5-12/h2-5,13,17H,6-10H2,1H3,(H2,18,19,22)
InChIKeyVUWZNFOLUSGZBT-UHFFFAOYSA-N
XLogP1.16
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(4-aminobutanoyl)piperidin-4-yl]-3-(4-fluorophenyl)urea;hydrochloride
CID 119295427
1-(4-fluorophenyl)-3-[1-(3-piperidin-4-ylbutanoyl)piperidin-4-yl]urea;hydrochloride
CID 119734456
1-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]-3-(4-fluorophenyl)urea
CID 119734475
1-[1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]piperidin-4-yl]-3-(4-fluorophenyl)urea
CID 119734449
1-cyclopropyl-3-(4-fluorophenyl)urea
CID 840492
1-(4-fluorophenyl)-3-[1-(3-piperidin-3-ylbutanoyl)piperidin-4-yl]urea
CID 119734445
1-[1-(2-amino-3,3-dimethylbutanoyl)piperidin-4-yl]-3-(4-fluorophenyl)urea;hydrochloride
CID 69227173
1-[1-[3-(2-aminophenyl)propanoyl]piperidin-4-yl]-3-(4-fluorophenyl)urea
CID 120609351
2-[4-[(4-fluorophenyl)carbamoylamino]piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 119182618
1-[1-(3-methylbutanoyl)piperidin-4-yl]-3-phenylurea
CID 110638001
1-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-(4-fluorophenyl)urea
CID 95302516
1-(1-benzylpiperidin-4-yl)-3-(4-fluorophenyl)urea
CID 6465310

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[1-[2-(methylamino)acetyl]piperidin-4-yl]urea?
The IUPAC name of 1-(4-fluorophenyl)-3-[1-[2-(methylamino)acetyl]piperidin-4-yl]urea (CID 119734443) is 1-(4-fluorophenyl)-3-[1-[2-(methylamino)acetyl]piperidin-4-yl]urea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[1-[2-(methylamino)acetyl]piperidin-4-yl]urea?
The canonical SMILES for 1-(4-fluorophenyl)-3-[1-[2-(methylamino)acetyl]piperidin-4-yl]urea is CNCC(=O)N1CCC(NC(=O)Nc2ccc(F)cc2)CC1.
What is the InChIKey of 1-(4-fluorophenyl)-3-[1-[2-(methylamino)acetyl]piperidin-4-yl]urea?
The InChIKey is VUWZNFOLUSGZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN4O2/c1-17-10-14(21)20-8-6-13(7-9-20)19-15(22)18-12-4-2-11(16)3-5-12/h2-5,13,17H,6-10H2,1H3,(H2,18,19,22).
What are the key properties of 1-(4-fluorophenyl)-3-[1-[2-(methylamino)acetyl]piperidin-4-yl]urea?
1-(4-fluorophenyl)-3-[1-[2-(methylamino)acetyl]piperidin-4-yl]urea has a molecular weight of 308.36 g/mol, XLogP of 1.16, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[1-[2-(methylamino)acetyl]piperidin-4-yl]urea is sourced from PubChem (CID 119734443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).