1-[1-(4-aminobutanoyl)piperidin-4-yl]-3-(4-fluorophenyl)urea;hydrochloride

C16H24ClFN4O2 — CID 119295427

IUPAC1-[1-(4-aminobutanoyl)piperidin-4-yl]-3-(4-fluorophenyl)urea;hydrochloride
SMILESCl.NCCCC(=O)N1CCC(NC(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C16H23FN4O2.ClH/c17-12-3-5-13(6-4-12)19-16(23)20-14-7-10-21(11-8-14)15(22)2-1-9-18;/h3-6,14H,1-2,7-11,18H2,(H2,19,20,23);1H
InChIKeyAOLQRTBKDYZXNW-UHFFFAOYSA-N
MW358.85 g/mol
LogP2.10
Rot. Bonds5

About 1-[1-(4-aminobutanoyl)piperidin-4-yl]-3-(4-fluorophenyl)urea;hydrochloride

1-[1-(4-aminobutanoyl)piperidin-4-yl]-3-(4-fluorophenyl)urea;hydrochloride (PubChem CID 119295427) has the molecular formula C16H24ClFN4O2 and a molecular weight of 358.85 g/mol. Its IUPAC name is 1-[1-(4-aminobutanoyl)piperidin-4-yl]-3-(4-fluorophenyl)urea;hydrochloride.

Molecular Properties

Compound Name1-[1-(4-aminobutanoyl)piperidin-4-yl]-3-(4-fluorophenyl)urea;hydrochloride
PubChem CID119295427
Molecular FormulaC16H24ClFN4O2
Molecular Weight358.85 g/mol
Exact Mass358.16
IUPAC Name1-[1-(4-aminobutanoyl)piperidin-4-yl]-3-(4-fluorophenyl)urea;hydrochloride
SMILESCl.NCCCC(=O)N1CCC(NC(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C16H23FN4O2.ClH/c17-12-3-5-13(6-4-12)19-16(23)20-14-7-10-21(11-8-14)15(22)2-1-9-18;/h3-6,14H,1-2,7-11,18H2,(H2,19,20,23);1H
InChIKeyAOLQRTBKDYZXNW-UHFFFAOYSA-N
XLogP2.10
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.85
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-aminobutanoyl)-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 119314607
1-(4-fluorophenyl)-3-[1-[2-(methylamino)acetyl]piperidin-4-yl]urea
CID 119734443
1-[1-[3-(2-aminophenyl)propanoyl]piperidin-4-yl]-3-(4-fluorophenyl)urea
CID 120609351
N-[1-(4-aminobutanoyl)piperidin-4-yl]-4-fluorobenzenesulfonamide;hydrochloride
CID 119294498
1-[1-(2-amino-3,3-dimethylbutanoyl)piperidin-4-yl]-3-(4-fluorophenyl)urea;hydrochloride
CID 69227173
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-[1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperidin-4-yl]-3-(4-fluorophenyl)urea;hydrochloride
CID 120788435
1-[1-[4-(methylamino)butanoyl]piperidin-4-yl]-3-phenylurea;hydrochloride
CID 119750416
1-[1-(4-aminobutanoyl)piperidin-4-yl]-3-cyclohexylurea
CID 119304295
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

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-aminobutanoyl)piperidin-4-yl]-3-(4-fluorophenyl)urea;hydrochloride?
The IUPAC name of 1-[1-(4-aminobutanoyl)piperidin-4-yl]-3-(4-fluorophenyl)urea;hydrochloride (CID 119295427) is 1-[1-(4-aminobutanoyl)piperidin-4-yl]-3-(4-fluorophenyl)urea;hydrochloride.
What is the SMILES notation for 1-[1-(4-aminobutanoyl)piperidin-4-yl]-3-(4-fluorophenyl)urea;hydrochloride?
The canonical SMILES for 1-[1-(4-aminobutanoyl)piperidin-4-yl]-3-(4-fluorophenyl)urea;hydrochloride is Cl.NCCCC(=O)N1CCC(NC(=O)Nc2ccc(F)cc2)CC1.
What is the InChIKey of 1-[1-(4-aminobutanoyl)piperidin-4-yl]-3-(4-fluorophenyl)urea;hydrochloride?
The InChIKey is AOLQRTBKDYZXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN4O2.ClH/c17-12-3-5-13(6-4-12)19-16(23)20-14-7-10-21(11-8-14)15(22)2-1-9-18;/h3-6,14H,1-2,7-11,18H2,(H2,19,20,23);1H.
What are the key properties of 1-[1-(4-aminobutanoyl)piperidin-4-yl]-3-(4-fluorophenyl)urea;hydrochloride?
1-[1-(4-aminobutanoyl)piperidin-4-yl]-3-(4-fluorophenyl)urea;hydrochloride has a molecular weight of 358.85 g/mol, XLogP of 2.10, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-aminobutanoyl)piperidin-4-yl]-3-(4-fluorophenyl)urea;hydrochloride is sourced from PubChem (CID 119295427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).