1-[(4-fluorophenyl)methyl]-3-[1-(furan-2-ylmethyl)piperidin-4-yl]-1-(2-hydroxyethyl)urea

C20H26FN3O3 — CID 122567428

IUPAC1-[(4-fluorophenyl)methyl]-3-[1-(furan-2-ylmethyl)piperidin-4-yl]-1-(2-hydroxyethyl)urea
SMILESO=C(NC1CCN(Cc2ccco2)CC1)N(CCO)Cc1ccc(F)cc1
InChIInChI=1S/C20H26FN3O3/c21-17-5-3-16(4-6-17)14-24(11-12-25)20(26)22-18-7-9-23(10-8-18)15-19-2-1-13-27-19/h1-6,13,18,25H,7-12,14-15H2,(H,22,26)
InChIKeyTVLPYFMBAZGDBZ-UHFFFAOYSA-N
MW375.44 g/mol
LogP2.59
Rot. Bonds7

About 1-[(4-fluorophenyl)methyl]-3-[1-(furan-2-ylmethyl)piperidin-4-yl]-1-(2-hydroxyethyl)urea

1-[(4-fluorophenyl)methyl]-3-[1-(furan-2-ylmethyl)piperidin-4-yl]-1-(2-hydroxyethyl)urea (PubChem CID 122567428) has the molecular formula C20H26FN3O3 and a molecular weight of 375.44 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-3-[1-(furan-2-ylmethyl)piperidin-4-yl]-1-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-3-[1-(furan-2-ylmethyl)piperidin-4-yl]-1-(2-hydroxyethyl)urea
PubChem CID122567428
Molecular FormulaC20H26FN3O3
Molecular Weight375.44 g/mol
Exact Mass375.20
IUPAC Name1-[(4-fluorophenyl)methyl]-3-[1-(furan-2-ylmethyl)piperidin-4-yl]-1-(2-hydroxyethyl)urea
SMILESO=C(NC1CCN(Cc2ccco2)CC1)N(CCO)Cc1ccc(F)cc1
InChIInChI=1S/C20H26FN3O3/c21-17-5-3-16(4-6-17)14-24(11-12-25)20(26)22-18-7-9-23(10-8-18)15-19-2-1-13-27-19/h1-6,13,18,25H,7-12,14-15H2,(H,22,26)
InChIKeyTVLPYFMBAZGDBZ-UHFFFAOYSA-N
XLogP2.59
TPSA68.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-fluorophenyl)methyl]-1-(2-hydroxyethyl)-3-[1-(2-phenylethyl)piperidin-4-yl]urea
CID 131945389
1-cyclopentyl-3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-[2-(furan-2-yl)ethyl]guanidine
CID 110054414
3-[1-(furan-2-ylmethyl)piperidin-4-yl]-1-methyl-1-(quinolin-6-ylmethyl)urea
CID 122563843
4-[[benzyl(furan-2-ylmethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122025242
1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-[2-(furan-2-yl)ethyl]-3-prop-2-enylguanidine
CID 136701277
1-(furan-2-ylmethyl)-N-methylpiperidin-4-amine;hydrochloride
CID 86253291
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 55992957
N-[1-(furan-2-ylmethyl)piperidin-4-yl]-2-(methylamino)pyridine-4-carboxamide
CID 77093957
N-[(4-fluorophenyl)methyl]-2-[4-(furan-2-ylmethyl)piperazin-1-yl]propanamide
CID 46674028
N-[(4-fluorophenyl)methyl]-N-[[(3S,4R)-1-(furan-2-ylmethyl)-4-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]acetamide
CID 129426647
3-cyclobutyl-1-ethyl-1-(furan-2-ylmethyl)urea
CID 115617674
3-[9-(furan-2-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]-1,1-dimethylurea
CID 131648359

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-3-[1-(furan-2-ylmethyl)piperidin-4-yl]-1-(2-hydroxyethyl)urea?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-3-[1-(furan-2-ylmethyl)piperidin-4-yl]-1-(2-hydroxyethyl)urea (CID 122567428) is 1-[(4-fluorophenyl)methyl]-3-[1-(furan-2-ylmethyl)piperidin-4-yl]-1-(2-hydroxyethyl)urea.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-3-[1-(furan-2-ylmethyl)piperidin-4-yl]-1-(2-hydroxyethyl)urea?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-3-[1-(furan-2-ylmethyl)piperidin-4-yl]-1-(2-hydroxyethyl)urea is O=C(NC1CCN(Cc2ccco2)CC1)N(CCO)Cc1ccc(F)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-3-[1-(furan-2-ylmethyl)piperidin-4-yl]-1-(2-hydroxyethyl)urea?
The InChIKey is TVLPYFMBAZGDBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3O3/c21-17-5-3-16(4-6-17)14-24(11-12-25)20(26)22-18-7-9-23(10-8-18)15-19-2-1-13-27-19/h1-6,13,18,25H,7-12,14-15H2,(H,22,26).
What are the key properties of 1-[(4-fluorophenyl)methyl]-3-[1-(furan-2-ylmethyl)piperidin-4-yl]-1-(2-hydroxyethyl)urea?
1-[(4-fluorophenyl)methyl]-3-[1-(furan-2-ylmethyl)piperidin-4-yl]-1-(2-hydroxyethyl)urea has a molecular weight of 375.44 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-3-[1-(furan-2-ylmethyl)piperidin-4-yl]-1-(2-hydroxyethyl)urea is sourced from PubChem (CID 122567428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).