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

C23H30FN3O2 — CID 131945389

IUPAC1-[(4-fluorophenyl)methyl]-1-(2-hydroxyethyl)-3-[1-(2-phenylethyl)piperidin-4-yl]urea
SMILESO=C(NC1CCN(CCc2ccccc2)CC1)N(CCO)Cc1ccc(F)cc1
InChIInChI=1S/C23H30FN3O2/c24-21-8-6-20(7-9-21)18-27(16-17-28)23(29)25-22-11-14-26(15-12-22)13-10-19-4-2-1-3-5-19/h1-9,22,28H,10-18H2,(H,25,29)
InChIKeyHNWANZHANRXOAM-UHFFFAOYSA-N
MW399.51 g/mol
LogP3.04
Rot. Bonds8

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

1-[(4-fluorophenyl)methyl]-1-(2-hydroxyethyl)-3-[1-(2-phenylethyl)piperidin-4-yl]urea (PubChem CID 131945389) has the molecular formula C23H30FN3O2 and a molecular weight of 399.51 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-1-(2-hydroxyethyl)-3-[1-(2-phenylethyl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-1-(2-hydroxyethyl)-3-[1-(2-phenylethyl)piperidin-4-yl]urea
PubChem CID131945389
Molecular FormulaC23H30FN3O2
Molecular Weight399.51 g/mol
Exact Mass399.23
IUPAC Name1-[(4-fluorophenyl)methyl]-1-(2-hydroxyethyl)-3-[1-(2-phenylethyl)piperidin-4-yl]urea
SMILESO=C(NC1CCN(CCc2ccccc2)CC1)N(CCO)Cc1ccc(F)cc1
InChIInChI=1S/C23H30FN3O2/c24-21-8-6-20(7-9-21)18-27(16-17-28)23(29)25-22-11-14-26(15-12-22)13-10-19-4-2-1-3-5-19/h1-9,22,28H,10-18H2,(H,25,29)
InChIKeyHNWANZHANRXOAM-UHFFFAOYSA-N
XLogP3.04
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.51
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-fluorophenyl)methyl]-3-[1-(furan-2-ylmethyl)piperidin-4-yl]-1-(2-hydroxyethyl)urea
CID 122567428
1-benzyl-3-(1-cyclopentylpiperidin-4-yl)-1-(2-hydroxyethyl)urea
CID 111751499
4-fluoro-N-[1-(3-phenylpropyl)piperidin-4-yl]benzamide
CID 34799426
1-benzyl-3-cyclohex-3-en-1-yl-1-(2-hydroxyethyl)urea
CID 111435351
1-benzyl-3-[1-(2-methylpropyl)piperidin-4-yl]-1-propylurea
CID 87003316
1-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-3-[1-(2-phenylethyl)piperidin-4-yl]urea
CID 56930892
N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
CID 134032079
3-[(3R)-1-ethylpyrrolidin-3-yl]-1-(2-phenylethyl)-1-(pyridin-3-ylmethyl)urea
CID 126422640
oxalic acid;bis(N-[1-(2-phenylethyl)piperidin-4-yl]propanamide)
CID 146470915
oxalic acid;N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 118877840
N,N-dimethyl-2-[[1-(2-phenylethyl)piperidin-4-yl]amino]acetamide
CID 60796882
2-[[1-(2-phenylethyl)piperidin-4-yl]amino]propanoic acid
CID 61499758

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-1-(2-hydroxyethyl)-3-[1-(2-phenylethyl)piperidin-4-yl]urea?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-1-(2-hydroxyethyl)-3-[1-(2-phenylethyl)piperidin-4-yl]urea (CID 131945389) is 1-[(4-fluorophenyl)methyl]-1-(2-hydroxyethyl)-3-[1-(2-phenylethyl)piperidin-4-yl]urea.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-1-(2-hydroxyethyl)-3-[1-(2-phenylethyl)piperidin-4-yl]urea?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-1-(2-hydroxyethyl)-3-[1-(2-phenylethyl)piperidin-4-yl]urea is O=C(NC1CCN(CCc2ccccc2)CC1)N(CCO)Cc1ccc(F)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-1-(2-hydroxyethyl)-3-[1-(2-phenylethyl)piperidin-4-yl]urea?
The InChIKey is HNWANZHANRXOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN3O2/c24-21-8-6-20(7-9-21)18-27(16-17-28)23(29)25-22-11-14-26(15-12-22)13-10-19-4-2-1-3-5-19/h1-9,22,28H,10-18H2,(H,25,29).
What are the key properties of 1-[(4-fluorophenyl)methyl]-1-(2-hydroxyethyl)-3-[1-(2-phenylethyl)piperidin-4-yl]urea?
1-[(4-fluorophenyl)methyl]-1-(2-hydroxyethyl)-3-[1-(2-phenylethyl)piperidin-4-yl]urea has a molecular weight of 399.51 g/mol, XLogP of 3.04, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-1-(2-hydroxyethyl)-3-[1-(2-phenylethyl)piperidin-4-yl]urea is sourced from PubChem (CID 131945389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).