1-(1-benzylpiperidin-4-yl)-3-(3,4-dimethylphenyl)urea;1-(1-benzylpiperidin-4-yl)-3-(3-fluorophenyl)urea;1-(1-benzylpiperidin-4-yl)-3-(3-methoxyphenyl)urea;1-(4-ethylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea;methane;1-(3-methoxyphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea

C98H146FN15O7 — CID 158337499

IUPAC1-(1-benzylpiperidin-4-yl)-3-(3,4-dimethylphenyl)urea;1-(1-benzylpiperidin-4-yl)-3-(3-fluorophenyl)urea;1-(1-benzylpiperidin-4-yl)-3-(3-methoxyphenyl)urea;1-(4-ethylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea;methane;1-(3-methoxyphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea
SMILESC.C.C.C.C.CCc1ccc(NC(=O)NC2CCN(C(C)C)CC2)cc1.COc1cccc(NC(=O)NC2CCN(C(C)C)CC2)c1.COc1cccc(NC(=O)NC2CCN(Cc3ccccc3)CC2)c1.Cc1ccc(NC(=O)NC2CCN(Cc3ccccc3)CC2)cc1C.O=C(Nc1cccc(F)c1)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H27N3O.C20H25N3O2.C19H22FN3O.C17H27N3O.C16H25N3O2.5CH4/c1-16-8-9-20(14-17(16)2)23-21(25)22-19-10-12-24(13-11-19)15-18-6-4-3-5-7-18;1-25-19-9-5-8-18(14-19)22-20(24)21-17-10-12-23(13-11-17)15-16-6-3-2-4-7-16;20-16-7-4-8-18(13-16)22-19(24)21-17-9-11-23(12-10-17)14-15-5-2-1-3-6-15;1-4-14-5-7-15(8-6-14)18-17(21)19-16-9-11-20(12-10-16)13(2)3;1-12(2)19-9-7-13(8-10-19)17-16(20)18-14-5-4-6-15(11-14)21-3;;;;;/h3-9,14,19H,10-13,15H2,1-2H3,(H2,22,23,25);2-9,14,17H,10-13,15H2,1H3,(H2,21,22,24);1-8,13,17H,9-12,14H2,(H2,21,22,24);5-8,13,16H,4,9-12H2,1-3H3,(H2,18,19,21);4-6,11-13H,7-10H2,1-3H3,(H2,17,18,20);5*1H4
InChIKeyGQTJYQTXAUWHLE-UHFFFAOYSA-N
MW1665.34 g/mol
LogP20.30
Rot. Bonds21

About 1-(1-benzylpiperidin-4-yl)-3-(3,4-dimethylphenyl)urea;1-(1-benzylpiperidin-4-yl)-3-(3-fluorophenyl)urea;1-(1-benzylpiperidin-4-yl)-3-(3-methoxyphenyl)urea;1-(4-ethylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea;methane;1-(3-methoxyphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea

1-(1-benzylpiperidin-4-yl)-3-(3,4-dimethylphenyl)urea;1-(1-benzylpiperidin-4-yl)-3-(3-fluorophenyl)urea;1-(1-benzylpiperidin-4-yl)-3-(3-methoxyphenyl)urea;1-(4-ethylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea;methane;1-(3-methoxyphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea (PubChem CID 158337499) has the molecular formula C98H146FN15O7 and a molecular weight of 1665.34 g/mol. Its IUPAC name is 1-(1-benzylpiperidin-4-yl)-3-(3,4-dimethylphenyl)urea;1-(1-benzylpiperidin-4-yl)-3-(3-fluorophenyl)urea;1-(1-benzylpiperidin-4-yl)-3-(3-methoxyphenyl)urea;1-(4-ethylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea;methane;1-(3-methoxyphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-(1-benzylpiperidin-4-yl)-3-(3,4-dimethylphenyl)urea;1-(1-benzylpiperidin-4-yl)-3-(3-fluorophenyl)urea;1-(1-benzylpiperidin-4-yl)-3-(3-methoxyphenyl)urea;1-(4-ethylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea;methane;1-(3-methoxyphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea
PubChem CID158337499
Molecular FormulaC98H146FN15O7
Molecular Weight1665.34 g/mol
Exact Mass1664.15
IUPAC Name1-(1-benzylpiperidin-4-yl)-3-(3,4-dimethylphenyl)urea;1-(1-benzylpiperidin-4-yl)-3-(3-fluorophenyl)urea;1-(1-benzylpiperidin-4-yl)-3-(3-methoxyphenyl)urea;1-(4-ethylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea;methane;1-(3-methoxyphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea
SMILESC.C.C.C.C.CCc1ccc(NC(=O)NC2CCN(C(C)C)CC2)cc1.COc1cccc(NC(=O)NC2CCN(C(C)C)CC2)c1.COc1cccc(NC(=O)NC2CCN(Cc3ccccc3)CC2)c1.Cc1ccc(NC(=O)NC2CCN(Cc3ccccc3)CC2)cc1C.O=C(Nc1cccc(F)c1)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H27N3O.C20H25N3O2.C19H22FN3O.C17H27N3O.C16H25N3O2.5CH4/c1-16-8-9-20(14-17(16)2)23-21(25)22-19-10-12-24(13-11-19)15-18-6-4-3-5-7-18;1-25-19-9-5-8-18(14-19)22-20(24)21-17-10-12-23(13-11-17)15-16-6-3-2-4-7-16;20-16-7-4-8-18(13-16)22-19(24)21-17-9-11-23(12-10-17)14-15-5-2-1-3-6-15;1-4-14-5-7-15(8-6-14)18-17(21)19-16-9-11-20(12-10-16)13(2)3;1-12(2)19-9-7-13(8-10-19)17-16(20)18-14-5-4-6-15(11-14)21-3;;;;;/h3-9,14,19H,10-13,15H2,1-2H3,(H2,22,23,25);2-9,14,17H,10-13,15H2,1H3,(H2,21,22,24);1-8,13,17H,9-12,14H2,(H2,21,22,24);5-8,13,16H,4,9-12H2,1-3H3,(H2,18,19,21);4-6,11-13H,7-10H2,1-3H3,(H2,17,18,20);5*1H4
InChIKeyGQTJYQTXAUWHLE-UHFFFAOYSA-N
XLogP20.30
TPSA240.31 Ų
H-Bond Donors10
H-Bond Acceptors12
Rotatable Bonds21
Heavy Atoms121
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001665.34
LogP ≤ 520.30
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1012

Analyze 1-(1-benzylpiperidin-4-yl)-3-(3,4-dimethylphenyl)urea;1-(1-benzylpiperidin-4-yl)-3-(3-fluorophenyl)urea;1-(1-benzylpiperidin-4-yl)-3-(3-methoxyphenyl)urea;1-(4-ethylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea;methane;1-(3-methoxyphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea with MolForge

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Related Compounds

1-[3-[[4-[(4-Fluorophenyl)methyl]piperidin-1-yl]methyl]cyclohexyl]-3-(3-methoxyphenyl)urea
CID 11385474
3-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 23509697
1-(3-Amino-3-o-tolyl-propyl)-3-(2,6-difluoro-benzyl)-5-(3-methoxy-phenyl)-[1,3,5]triazinane-2,4,6-trione
CID 44387898
1-((R)-2-Amino-2-phenyl-ethyl)-3-(2-fluoro-3-methoxy-phenyl)-5-(2-methyl-benzyl)-[1,3,5]triazinane-2,4,6-trione
CID 44387918
3-(2-Amino-2-phenylethyl)-1-(2-fluoro-3-methoxyphenyl)-1-[[2-(trifluoromethyl)phenyl]methyl]-1,3,5-triazinan-1-ium-2,4,6-trione
CID 17960857
4-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-N-(3-methoxyphenyl)-4-phenyl-1,3-dihydroisoquinoline-2-carboxamide
CID 19028761
4-[2-[4-(4-fluorophenyl)piperidin-1-yl]ethyl]-N-(3-methoxyphenyl)-4-phenyl-1,3-dihydroisoquinoline-2-carboxamide
CID 19028901
1-[3-[3-Benzyl-4-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]-3-(3-methoxyphenyl)urea
CID 22393475
3-Ethyl-1-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-1-(3-methoxyphenyl)urea
CID 23108642
(3R,4R)-4-[4-(3,5-difluorophenyl)phenyl]-N-(3-methoxyphenyl)-3-[(3-methoxyphenyl)carbamoylamino]piperidine-1-carboxamide
CID 25115511
1-[3-[6-fluoro-3-(4-fluorobenzyl)-3,4-dihydroisoquinolin-2(1H)-yl]propyl]-3-(3-methoxyphenyl)urea
CID 59323219
1-[3-[3-(4-fluorobenzyl)-3,4-dihydroisoquinolin-2(1H)-yl]propyl]-3-(3-methoxyphenyl)urea
CID 59323334

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpiperidin-4-yl)-3-(3,4-dimethylphenyl)urea;1-(1-benzylpiperidin-4-yl)-3-(3-fluorophenyl)urea;1-(1-benzylpiperidin-4-yl)-3-(3-methoxyphenyl)urea;1-(4-ethylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea;methane;1-(3-methoxyphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea?
The IUPAC name of 1-(1-benzylpiperidin-4-yl)-3-(3,4-dimethylphenyl)urea;1-(1-benzylpiperidin-4-yl)-3-(3-fluorophenyl)urea;1-(1-benzylpiperidin-4-yl)-3-(3-methoxyphenyl)urea;1-(4-ethylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea;methane;1-(3-methoxyphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea (CID 158337499) is 1-(1-benzylpiperidin-4-yl)-3-(3,4-dimethylphenyl)urea;1-(1-benzylpiperidin-4-yl)-3-(3-fluorophenyl)urea;1-(1-benzylpiperidin-4-yl)-3-(3-methoxyphenyl)urea;1-(4-ethylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea;methane;1-(3-methoxyphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea.
What is the SMILES notation for 1-(1-benzylpiperidin-4-yl)-3-(3,4-dimethylphenyl)urea;1-(1-benzylpiperidin-4-yl)-3-(3-fluorophenyl)urea;1-(1-benzylpiperidin-4-yl)-3-(3-methoxyphenyl)urea;1-(4-ethylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea;methane;1-(3-methoxyphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea?
The canonical SMILES for 1-(1-benzylpiperidin-4-yl)-3-(3,4-dimethylphenyl)urea;1-(1-benzylpiperidin-4-yl)-3-(3-fluorophenyl)urea;1-(1-benzylpiperidin-4-yl)-3-(3-methoxyphenyl)urea;1-(4-ethylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea;methane;1-(3-methoxyphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea is C.C.C.C.C.CCc1ccc(NC(=O)NC2CCN(C(C)C)CC2)cc1.COc1cccc(NC(=O)NC2CCN(C(C)C)CC2)c1.COc1cccc(NC(=O)NC2CCN(Cc3ccccc3)CC2)c1.Cc1ccc(NC(=O)NC2CCN(Cc3ccccc3)CC2)cc1C.O=C(Nc1cccc(F)c1)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-(1-benzylpiperidin-4-yl)-3-(3,4-dimethylphenyl)urea;1-(1-benzylpiperidin-4-yl)-3-(3-fluorophenyl)urea;1-(1-benzylpiperidin-4-yl)-3-(3-methoxyphenyl)urea;1-(4-ethylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea;methane;1-(3-methoxyphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea?
The InChIKey is GQTJYQTXAUWHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O.C20H25N3O2.C19H22FN3O.C17H27N3O.C16H25N3O2.5CH4/c1-16-8-9-20(14-17(16)2)23-21(25)22-19-10-12-24(13-11-19)15-18-6-4-3-5-7-18;1-25-19-9-5-8-18(14-19)22-20(24)21-17-10-12-23(13-11-17)15-16-6-3-2-4-7-16;20-16-7-4-8-18(13-16)22-19(24)21-17-9-11-23(12-10-17)14-15-5-2-1-3-6-15;1-4-14-5-7-15(8-6-14)18-17(21)19-16-9-11-20(12-10-16)13(2)3;1-12(2)19-9-7-13(8-10-19)17-16(20)18-14-5-4-6-15(11-14)21-3;;;;;/h3-9,14,19H,10-13,15H2,1-2H3,(H2,22,23,25);2-9,14,17H,10-13,15H2,1H3,(H2,21,22,24);1-8,13,17H,9-12,14H2,(H2,21,22,24);5-8,13,16H,4,9-12H2,1-3H3,(H2,18,19,21);4-6,11-13H,7-10H2,1-3H3,(H2,17,18,20);5*1H4.
What are the key properties of 1-(1-benzylpiperidin-4-yl)-3-(3,4-dimethylphenyl)urea;1-(1-benzylpiperidin-4-yl)-3-(3-fluorophenyl)urea;1-(1-benzylpiperidin-4-yl)-3-(3-methoxyphenyl)urea;1-(4-ethylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea;methane;1-(3-methoxyphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea?
1-(1-benzylpiperidin-4-yl)-3-(3,4-dimethylphenyl)urea;1-(1-benzylpiperidin-4-yl)-3-(3-fluorophenyl)urea;1-(1-benzylpiperidin-4-yl)-3-(3-methoxyphenyl)urea;1-(4-ethylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea;methane;1-(3-methoxyphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea has a molecular weight of 1665.34 g/mol, XLogP of 20.30, 21 rotatable bonds, 10 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpiperidin-4-yl)-3-(3,4-dimethylphenyl)urea;1-(1-benzylpiperidin-4-yl)-3-(3-fluorophenyl)urea;1-(1-benzylpiperidin-4-yl)-3-(3-methoxyphenyl)urea;1-(4-ethylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea;methane;1-(3-methoxyphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea is sourced from PubChem (CID 158337499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).