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

C14H21FN4O — CID 63631483

IUPAC1-[1-(2-aminoethyl)piperidin-4-yl]-3-(3-fluorophenyl)urea
SMILESNCCN1CCC(NC(=O)Nc2cccc(F)c2)CC1
InChIInChI=1S/C14H21FN4O/c15-11-2-1-3-13(10-11)18-14(20)17-12-4-7-19(8-5-12)9-6-16/h1-3,10,12H,4-9,16H2,(H2,17,18,20)
InChIKeyYEQQYIUTSHXCPE-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.37
Rot. Bonds4

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

1-[1-(2-aminoethyl)piperidin-4-yl]-3-(3-fluorophenyl)urea (PubChem CID 63631483) has the molecular formula C14H21FN4O and a molecular weight of 280.35 g/mol. Its IUPAC name is 1-[1-(2-aminoethyl)piperidin-4-yl]-3-(3-fluorophenyl)urea.

Molecular Properties

Compound Name1-[1-(2-aminoethyl)piperidin-4-yl]-3-(3-fluorophenyl)urea
PubChem CID63631483
Molecular FormulaC14H21FN4O
Molecular Weight280.35 g/mol
Exact Mass280.17
IUPAC Name1-[1-(2-aminoethyl)piperidin-4-yl]-3-(3-fluorophenyl)urea
SMILESNCCN1CCC(NC(=O)Nc2cccc(F)c2)CC1
InChIInChI=1S/C14H21FN4O/c15-11-2-1-3-13(10-11)18-14(20)17-12-4-7-19(8-5-12)9-6-16/h1-3,10,12H,4-9,16H2,(H2,17,18,20)
InChIKeyYEQQYIUTSHXCPE-UHFFFAOYSA-N
XLogP1.37
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[1-(2-aminoethyl)piperidin-4-yl]-3-(3-fluorophenyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-aminoethyl)-N-(3-fluorophenyl)piperidin-4-amine
CID 117027556
1-[4-(ethylamino)cyclohexyl]-3-(3-fluorophenyl)urea
CID 61030345
2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-N-(3-fluorophenyl)acetamide
CID 43252639
1-(3-aminocyclobutyl)-3-(3-fluorophenyl)urea
CID 61029509
2-fluoro-N-[1-[2-(3-fluoroanilino)-2-oxoethyl]piperidin-4-yl]benzamide
CID 60508520
N-(3-fluorophenyl)-3-(4-hydroxypiperidin-1-yl)propanamide
CID 43037946
1-[3-(1,1-difluoroethyl)phenyl]-3-(1-methylpiperidin-4-yl)urea
CID 99823447
2-[3-[[1-(2-methylsulfanylethyl)piperidin-4-yl]carbamoylamino]phenyl]acetamide
CID 74232170
1-[1-[(2R)-2-hydroxybutyl]piperidin-4-yl]-3-(3-methylphenyl)urea
CID 97328121
1-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]-3-(3-fluorophenyl)urea
CID 61150447
1-(1-benzylpiperidin-4-yl)-3-(4-fluorophenyl)urea
CID 6465310
1-(1-benzylpiperidin-4-yl)-3-[3-(trifluoromethylsulfanyl)phenyl]urea
CID 74226991

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-aminoethyl)piperidin-4-yl]-3-(3-fluorophenyl)urea?
The IUPAC name of 1-[1-(2-aminoethyl)piperidin-4-yl]-3-(3-fluorophenyl)urea (CID 63631483) is 1-[1-(2-aminoethyl)piperidin-4-yl]-3-(3-fluorophenyl)urea.
What is the SMILES notation for 1-[1-(2-aminoethyl)piperidin-4-yl]-3-(3-fluorophenyl)urea?
The canonical SMILES for 1-[1-(2-aminoethyl)piperidin-4-yl]-3-(3-fluorophenyl)urea is NCCN1CCC(NC(=O)Nc2cccc(F)c2)CC1.
What is the InChIKey of 1-[1-(2-aminoethyl)piperidin-4-yl]-3-(3-fluorophenyl)urea?
The InChIKey is YEQQYIUTSHXCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN4O/c15-11-2-1-3-13(10-11)18-14(20)17-12-4-7-19(8-5-12)9-6-16/h1-3,10,12H,4-9,16H2,(H2,17,18,20).
What are the key properties of 1-[1-(2-aminoethyl)piperidin-4-yl]-3-(3-fluorophenyl)urea?
1-[1-(2-aminoethyl)piperidin-4-yl]-3-(3-fluorophenyl)urea has a molecular weight of 280.35 g/mol, XLogP of 1.37, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-aminoethyl)piperidin-4-yl]-3-(3-fluorophenyl)urea is sourced from PubChem (CID 63631483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).