1-(4-methoxyphenyl)-3-[3-(2-methylpiperidin-1-yl)propyl]urea

C17H27N3O2 — CID 3239013

IUPAC1-(4-methoxyphenyl)-3-[3-(2-methylpiperidin-1-yl)propyl]urea
SMILESCOc1ccc(NC(=O)NCCCN2CCCCC2C)cc1
InChIInChI=1S/C17H27N3O2/c1-14-6-3-4-12-20(14)13-5-11-18-17(21)19-15-7-9-16(22-2)10-8-15/h7-10,14H,3-6,11-13H2,1-2H3,(H2,18,19,21)
InChIKeyYIVHOLITJPZWJI-UHFFFAOYSA-N
MW305.42 g/mol
LogP3.08
Rot. Bonds6

About 1-(4-methoxyphenyl)-3-[3-(2-methylpiperidin-1-yl)propyl]urea

1-(4-methoxyphenyl)-3-[3-(2-methylpiperidin-1-yl)propyl]urea (PubChem CID 3239013) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-[3-(2-methylpiperidin-1-yl)propyl]urea.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-[3-(2-methylpiperidin-1-yl)propyl]urea
PubChem CID3239013
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name1-(4-methoxyphenyl)-3-[3-(2-methylpiperidin-1-yl)propyl]urea
SMILESCOc1ccc(NC(=O)NCCCN2CCCCC2C)cc1
InChIInChI=1S/C17H27N3O2/c1-14-6-3-4-12-20(14)13-5-11-18-17(21)19-15-7-9-16(22-2)10-8-15/h7-10,14H,3-6,11-13H2,1-2H3,(H2,18,19,21)
InChIKeyYIVHOLITJPZWJI-UHFFFAOYSA-N
XLogP3.08
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Urapidil
CID 5639
Talinolol
CID 68770
Dulcin
CID 9013
1-(4-Methoxyphenyl)piperazine
CID 269722
1-Trifluoromethoxyphenyl-3-(1-propionylpiperidine-4-yl)urea
CID 44142782
Urapidil hydrochloride
CID 167980
Difenoxuron
CID 26576
EC-5026
CID 91933845
1-(1-Methanesulfonylpiperidin-4-yl)-3-(4-trifluoromethoxyphenyl)urea
CID 25093353
1-Piperidinecarboxamide, N-(4-methoxyphenyl)-
CID 200753
1-[4-(4-Fluorophenoxy)cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 25093351
1-Cyclohexyl-3-(4-methoxy-phenyl)-urea
CID 3397178

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-[3-(2-methylpiperidin-1-yl)propyl]urea?
The IUPAC name of 1-(4-methoxyphenyl)-3-[3-(2-methylpiperidin-1-yl)propyl]urea (CID 3239013) is 1-(4-methoxyphenyl)-3-[3-(2-methylpiperidin-1-yl)propyl]urea.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-[3-(2-methylpiperidin-1-yl)propyl]urea?
The canonical SMILES for 1-(4-methoxyphenyl)-3-[3-(2-methylpiperidin-1-yl)propyl]urea is COc1ccc(NC(=O)NCCCN2CCCCC2C)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-[3-(2-methylpiperidin-1-yl)propyl]urea?
The InChIKey is YIVHOLITJPZWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-14-6-3-4-12-20(14)13-5-11-18-17(21)19-15-7-9-16(22-2)10-8-15/h7-10,14H,3-6,11-13H2,1-2H3,(H2,18,19,21).
What are the key properties of 1-(4-methoxyphenyl)-3-[3-(2-methylpiperidin-1-yl)propyl]urea?
1-(4-methoxyphenyl)-3-[3-(2-methylpiperidin-1-yl)propyl]urea has a molecular weight of 305.42 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-[3-(2-methylpiperidin-1-yl)propyl]urea is sourced from PubChem (CID 3239013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).