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

C26H34FN3O2 — CID 91916290

IUPAC1-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-1-(oxan-4-yl)-3-(2-phenylethyl)urea
SMILESO=C(NCCc1ccccc1)N(C1CCOCC1)C1CCN(Cc2cccc(F)c2)CC1
InChIInChI=1S/C26H34FN3O2/c27-23-8-4-7-22(19-23)20-29-15-10-24(11-16-29)30(25-12-17-32-18-13-25)26(31)28-14-9-21-5-2-1-3-6-21/h1-8,19,24-25H,9-18,20H2,(H,28,31)
InChIKeyLGLUYQIQWZSGMQ-UHFFFAOYSA-N
MW439.58 g/mol
LogP4.22
Rot. Bonds7

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

1-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-1-(oxan-4-yl)-3-(2-phenylethyl)urea (PubChem CID 91916290) has the molecular formula C26H34FN3O2 and a molecular weight of 439.58 g/mol. Its IUPAC name is 1-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-1-(oxan-4-yl)-3-(2-phenylethyl)urea.

Molecular Properties

Compound Name1-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-1-(oxan-4-yl)-3-(2-phenylethyl)urea
PubChem CID91916290
Molecular FormulaC26H34FN3O2
Molecular Weight439.58 g/mol
Exact Mass439.26
IUPAC Name1-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-1-(oxan-4-yl)-3-(2-phenylethyl)urea
SMILESO=C(NCCc1ccccc1)N(C1CCOCC1)C1CCN(Cc2cccc(F)c2)CC1
InChIInChI=1S/C26H34FN3O2/c27-23-8-4-7-22(19-23)20-29-15-10-24(11-16-29)30(25-12-17-32-18-13-25)26(31)28-14-9-21-5-2-1-3-6-21/h1-8,19,24-25H,9-18,20H2,(H,28,31)
InChIKeyLGLUYQIQWZSGMQ-UHFFFAOYSA-N
XLogP4.22
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.58
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

(2S)-4-(2,5-difluorophenyl)-N-methyl-2-phenyl-N-(piperidin-4-yl)-2,5-dihydro-1H-pyrrole-1-carboxamide
CID 11675645
N-(diphenylmethyl)morpholin-4-ylcarboxamide
CID 1538456
1-Benzyl-3-{3-[4-(4-fluoro-benzyl)-piperidin-1-yl]-propyl}-urea
CID 22393428
1-Benzyl-3-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)urea
CID 3217188
1-N-benzyl-4-N-(oxan-4-yl)piperidine-1,4-dicarboxamide
CID 70686704
N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(4-fluorophenyl)piperidine-1-carboxamide
CID 129105176
N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(3-fluorophenyl)piperidine-1-carboxamide
CID 129105239
N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(2-fluorophenyl)piperidine-1-carboxamide
CID 129105316
1-(1-Ethylpiperidin-4-yl)-3-(4-fluorobenzyl)-1-(piperidin-4-yl)urea
CID 46884511
1-(1-Ethylpiperidin-4-yl)-3-(4-fluorobenzyl)-1-(1-(2-hydroxyethyl)piperidin-4-yl)urea
CID 46884512
1-Benzyl-3-(1-benzyl-piperidin-4-yl)-urea
CID 17987129
N-cyclopentyl-4-[cyclopropyl(4-fluorobenzyl)amino]-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 91919148

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-1-(oxan-4-yl)-3-(2-phenylethyl)urea?
The IUPAC name of 1-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-1-(oxan-4-yl)-3-(2-phenylethyl)urea (CID 91916290) is 1-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-1-(oxan-4-yl)-3-(2-phenylethyl)urea.
What is the SMILES notation for 1-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-1-(oxan-4-yl)-3-(2-phenylethyl)urea?
The canonical SMILES for 1-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-1-(oxan-4-yl)-3-(2-phenylethyl)urea is O=C(NCCc1ccccc1)N(C1CCOCC1)C1CCN(Cc2cccc(F)c2)CC1.
What is the InChIKey of 1-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-1-(oxan-4-yl)-3-(2-phenylethyl)urea?
The InChIKey is LGLUYQIQWZSGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34FN3O2/c27-23-8-4-7-22(19-23)20-29-15-10-24(11-16-29)30(25-12-17-32-18-13-25)26(31)28-14-9-21-5-2-1-3-6-21/h1-8,19,24-25H,9-18,20H2,(H,28,31).
What are the key properties of 1-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-1-(oxan-4-yl)-3-(2-phenylethyl)urea?
1-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-1-(oxan-4-yl)-3-(2-phenylethyl)urea has a molecular weight of 439.58 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-1-(oxan-4-yl)-3-(2-phenylethyl)urea is sourced from PubChem (CID 91916290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).