1-(3,4-dimethylphenyl)-3-(1-methylpiperidin-4-yl)urea

C15H23N3O — CID 17279067

IUPAC1-(3,4-dimethylphenyl)-3-(1-methylpiperidin-4-yl)urea
SMILESCc1ccc(NC(=O)NC2CCN(C)CC2)cc1C
InChIInChI=1S/C15H23N3O/c1-11-4-5-14(10-12(11)2)17-15(19)16-13-6-8-18(3)9-7-13/h4-5,10,13H,6-9H2,1-3H3,(H2,16,17,19)
InChIKeyGVTJZEVHDNUNHF-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.52
Rot. Bonds2

About 1-(3,4-dimethylphenyl)-3-(1-methylpiperidin-4-yl)urea

1-(3,4-dimethylphenyl)-3-(1-methylpiperidin-4-yl)urea (PubChem CID 17279067) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-3-(1-methylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-3-(1-methylpiperidin-4-yl)urea
PubChem CID17279067
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name1-(3,4-dimethylphenyl)-3-(1-methylpiperidin-4-yl)urea
SMILESCc1ccc(NC(=O)NC2CCN(C)CC2)cc1C
InChIInChI=1S/C15H23N3O/c1-11-4-5-14(10-12(11)2)17-15(19)16-13-6-8-18(3)9-7-13/h4-5,10,13H,6-9H2,1-3H3,(H2,16,17,19)
InChIKeyGVTJZEVHDNUNHF-UHFFFAOYSA-N
XLogP2.52
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-4-methylphenyl)-3-(1-methylpiperidin-4-yl)urea
CID 110866440
1-(3-ethoxy-4-methylphenyl)-3-(1-methylpiperidin-4-yl)urea
CID 56824217
1-(4-iodophenyl)-3-(1-methylpiperidin-4-yl)urea
CID 47133004
1-(4-fluoro-3-methylphenyl)-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]urea
CID 99581606
1-(1-methylpiperidin-4-yl)-3-naphthalen-2-ylurea
CID 78832160
N-(3,4-dimethylphenyl)-1-methylpiperidine-4-carboxamide
CID 95968051
1-(3-chloro-4-methylphenyl)-3-cyclopropylurea
CID 6469220
1-(1-methylpiperidin-4-yl)-3-(2,4,6-trimethylphenyl)urea
CID 47132999
1-(3-chloro-4-methylsulfanylphenyl)-3-(1-methylpiperidin-4-yl)urea
CID 71864855
1-(3,4-dimethylphenyl)-3-[(1R,3S)-3-hydroxycyclohexyl]urea
CID 95983941
1-(3-chloro-4-methylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea
CID 24528836
1-[3-(1,1-difluoroethyl)phenyl]-3-(1-methylpiperidin-4-yl)urea
CID 99823447

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-3-(1-methylpiperidin-4-yl)urea?
The IUPAC name of 1-(3,4-dimethylphenyl)-3-(1-methylpiperidin-4-yl)urea (CID 17279067) is 1-(3,4-dimethylphenyl)-3-(1-methylpiperidin-4-yl)urea.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-3-(1-methylpiperidin-4-yl)urea?
The canonical SMILES for 1-(3,4-dimethylphenyl)-3-(1-methylpiperidin-4-yl)urea is Cc1ccc(NC(=O)NC2CCN(C)CC2)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-3-(1-methylpiperidin-4-yl)urea?
The InChIKey is GVTJZEVHDNUNHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-11-4-5-14(10-12(11)2)17-15(19)16-13-6-8-18(3)9-7-13/h4-5,10,13H,6-9H2,1-3H3,(H2,16,17,19).
What are the key properties of 1-(3,4-dimethylphenyl)-3-(1-methylpiperidin-4-yl)urea?
1-(3,4-dimethylphenyl)-3-(1-methylpiperidin-4-yl)urea has a molecular weight of 261.37 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-3-(1-methylpiperidin-4-yl)urea is sourced from PubChem (CID 17279067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).