1-(1-benzylpiperidin-4-yl)-3-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]urea

C26H27F2N3O — CID 141100659

IUPAC1-(1-benzylpiperidin-4-yl)-3-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]urea
SMILESO=C(Nc1ccc(F)cc1)N(Cc1ccc(F)cc1)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C26H27F2N3O/c27-22-8-6-21(7-9-22)19-31(26(32)29-24-12-10-23(28)11-13-24)25-14-16-30(17-15-25)18-20-4-2-1-3-5-20/h1-13,25H,14-19H2,(H,29,32)
InChIKeyBWCCGOLHMABNSQ-UHFFFAOYSA-N
MW435.52 g/mol
LogP5.66
Rot. Bonds6

About 1-(1-benzylpiperidin-4-yl)-3-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]urea

1-(1-benzylpiperidin-4-yl)-3-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]urea (PubChem CID 141100659) has the molecular formula C26H27F2N3O and a molecular weight of 435.52 g/mol. Its IUPAC name is 1-(1-benzylpiperidin-4-yl)-3-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]urea.

Molecular Properties

Compound Name1-(1-benzylpiperidin-4-yl)-3-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]urea
PubChem CID141100659
Molecular FormulaC26H27F2N3O
Molecular Weight435.52 g/mol
Exact Mass435.21
IUPAC Name1-(1-benzylpiperidin-4-yl)-3-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]urea
SMILESO=C(Nc1ccc(F)cc1)N(Cc1ccc(F)cc1)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C26H27F2N3O/c27-22-8-6-21(7-9-22)19-31(26(32)29-24-12-10-23(28)11-13-24)25-14-16-30(17-15-25)18-20-4-2-1-3-5-20/h1-13,25H,14-19H2,(H,29,32)
InChIKeyBWCCGOLHMABNSQ-UHFFFAOYSA-N
XLogP5.66
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.52
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-1-(1-benzylpiperidin-4-yl)-3-[4-(trifluoromethyl)phenyl]urea
CID 126711712
1-(1-benzylpiperidin-4-yl)-1-[(4-chlorophenyl)methyl]-3-(4-methylsulfanylphenyl)urea
CID 42696418
3-(4-fluorophenyl)-1-[(3-fluorophenyl)methyl]-1-[1-[[4-[4-(methanesulfonamido)phenoxy]phenyl]methyl]piperidin-4-yl]urea
CID 67037919
1-(1-benzylpiperidin-4-yl)-1-[(2-chlorophenyl)methyl]-3-(4-ethylphenyl)urea
CID 42702435
1-(1-benzylpiperidin-4-yl)-3-(3-fluorophenyl)-1-[(3-phenoxyphenyl)methyl]urea
CID 42703390
1-(1-benzylpiperidin-4-yl)-1-[(4-tert-butylphenyl)methyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 42704267
1-(1-benzylpiperidin-4-yl)-3-(4-fluorophenyl)urea
CID 6465310
3-(2-chlorophenyl)-1-(1-ethylpiperidin-4-yl)-1-[(4-fluorophenyl)methyl]urea
CID 6625876
3-(4-fluorophenyl)-1-[(2-fluorophenyl)methyl]-1-[1-[[4-[4-(methanesulfonamido)phenoxy]phenyl]methyl]piperidin-4-yl]urea;hydrochloride
CID 67038620
N-benzyl-1-[(4-fluorophenyl)methyl]-N-methylpiperidin-4-amine
CID 754317
3-(4-fluorophenyl)-1-[1-[[4-[4-(methanesulfonamido)phenoxy]phenyl]methyl]piperidin-4-yl]-1-[(2-methoxyphenyl)methyl]urea
CID 67038667
4-[4-[[4-[N-[(4-fluorophenyl)carbamoyl]anilino]piperidin-1-yl]methyl]phenoxy]benzoic acid;hydrochloride
CID 66814646

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpiperidin-4-yl)-3-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]urea?
The IUPAC name of 1-(1-benzylpiperidin-4-yl)-3-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]urea (CID 141100659) is 1-(1-benzylpiperidin-4-yl)-3-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]urea.
What is the SMILES notation for 1-(1-benzylpiperidin-4-yl)-3-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]urea?
The canonical SMILES for 1-(1-benzylpiperidin-4-yl)-3-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]urea is O=C(Nc1ccc(F)cc1)N(Cc1ccc(F)cc1)C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-(1-benzylpiperidin-4-yl)-3-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]urea?
The InChIKey is BWCCGOLHMABNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F2N3O/c27-22-8-6-21(7-9-22)19-31(26(32)29-24-12-10-23(28)11-13-24)25-14-16-30(17-15-25)18-20-4-2-1-3-5-20/h1-13,25H,14-19H2,(H,29,32).
What are the key properties of 1-(1-benzylpiperidin-4-yl)-3-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]urea?
1-(1-benzylpiperidin-4-yl)-3-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]urea has a molecular weight of 435.52 g/mol, XLogP of 5.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpiperidin-4-yl)-3-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]urea is sourced from PubChem (CID 141100659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).