1-(3-methoxyphenyl)-3-(2-piperidin-1-ylethyl)urea

C15H23N3O2 — CID 6467692

IUPAC1-(3-methoxyphenyl)-3-(2-piperidin-1-ylethyl)urea
SMILESCOc1cccc(NC(=O)NCCN2CCCCC2)c1
InChIInChI=1S/C15H23N3O2/c1-20-14-7-5-6-13(12-14)17-15(19)16-8-11-18-9-3-2-4-10-18/h5-7,12H,2-4,8-11H2,1H3,(H2,16,17,19)
InChIKeyOBFGBPLPEQTZCX-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.30
Rot. Bonds5

About 1-(3-methoxyphenyl)-3-(2-piperidin-1-ylethyl)urea

1-(3-methoxyphenyl)-3-(2-piperidin-1-ylethyl)urea (PubChem CID 6467692) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-3-(2-piperidin-1-ylethyl)urea.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-3-(2-piperidin-1-ylethyl)urea
PubChem CID6467692
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name1-(3-methoxyphenyl)-3-(2-piperidin-1-ylethyl)urea
SMILESCOc1cccc(NC(=O)NCCN2CCCCC2)c1
InChIInChI=1S/C15H23N3O2/c1-20-14-7-5-6-13(12-14)17-15(19)16-8-11-18-9-3-2-4-10-18/h5-7,12H,2-4,8-11H2,1H3,(H2,16,17,19)
InChIKeyOBFGBPLPEQTZCX-UHFFFAOYSA-N
XLogP2.30
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 312440
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CID 11494
1-Piperidinecarboxamide, N-(4-methoxyphenyl)-
CID 200753
Ucm 793
CID 24750192
1-Cyclohexyl-3-(4-methoxy-phenyl)-urea
CID 3397178
3-(4-Methoxyphenyl)-1,1-dimethylurea
CID 23550
3-Ureidoanisole
CID 101483
Methyl N-(m-((butylcarbamoyl)oxy)phenyl)carbamate
CID 26183
2-Methoxy-4-(4-methylpiperazin-1-yl)aniline
CID 20136253
1-(3,5-Dimethoxyphenyl)piperazine
CID 2736205

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-3-(2-piperidin-1-ylethyl)urea?
The IUPAC name of 1-(3-methoxyphenyl)-3-(2-piperidin-1-ylethyl)urea (CID 6467692) is 1-(3-methoxyphenyl)-3-(2-piperidin-1-ylethyl)urea.
What is the SMILES notation for 1-(3-methoxyphenyl)-3-(2-piperidin-1-ylethyl)urea?
The canonical SMILES for 1-(3-methoxyphenyl)-3-(2-piperidin-1-ylethyl)urea is COc1cccc(NC(=O)NCCN2CCCCC2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-3-(2-piperidin-1-ylethyl)urea?
The InChIKey is OBFGBPLPEQTZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-20-14-7-5-6-13(12-14)17-15(19)16-8-11-18-9-3-2-4-10-18/h5-7,12H,2-4,8-11H2,1H3,(H2,16,17,19).
What are the key properties of 1-(3-methoxyphenyl)-3-(2-piperidin-1-ylethyl)urea?
1-(3-methoxyphenyl)-3-(2-piperidin-1-ylethyl)urea has a molecular weight of 277.37 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-3-(2-piperidin-1-ylethyl)urea is sourced from PubChem (CID 6467692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).