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

C17H27N3O2 — CID 94441247

IUPAC1-[3-(4-methoxyphenyl)propyl]-3-[(3R)-1-methylpiperidin-3-yl]urea
SMILESCOc1ccc(CCCNC(=O)N[C@@H]2CCCN(C)C2)cc1
InChIInChI=1S/C17H27N3O2/c1-20-12-4-6-15(13-20)19-17(21)18-11-3-5-14-7-9-16(22-2)10-8-14/h7-10,15H,3-6,11-13H2,1-2H3,(H2,18,19,21)/t15-/m1/s1
InChIKeyYNMHFMWIWSAKRA-OAHLLOKOSA-N
MW305.42 g/mol
LogP2.02
Rot. Bonds6

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

1-[3-(4-methoxyphenyl)propyl]-3-[(3R)-1-methylpiperidin-3-yl]urea (PubChem CID 94441247) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 1-[3-(4-methoxyphenyl)propyl]-3-[(3R)-1-methylpiperidin-3-yl]urea.

Molecular Properties

Compound Name1-[3-(4-methoxyphenyl)propyl]-3-[(3R)-1-methylpiperidin-3-yl]urea
PubChem CID94441247
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name1-[3-(4-methoxyphenyl)propyl]-3-[(3R)-1-methylpiperidin-3-yl]urea
SMILESCOc1ccc(CCCNC(=O)N[C@@H]2CCCN(C)C2)cc1
InChIInChI=1S/C17H27N3O2/c1-20-12-4-6-15(13-20)19-17(21)18-11-3-5-14-7-9-16(22-2)10-8-14/h7-10,15H,3-6,11-13H2,1-2H3,(H2,18,19,21)/t15-/m1/s1
InChIKeyYNMHFMWIWSAKRA-OAHLLOKOSA-N
XLogP2.02
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 ≤ 52.02
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

1-[2-(4-methoxyphenyl)ethyl]-3-(1-methylpiperidin-4-yl)urea
CID 11493037
1-(3-hydroxycyclohexyl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 71786236
4-hydroxy-N-[3-(4-methoxyphenyl)propyl]piperidine-1-carboxamide
CID 118398472
4-[2-[(1-methylpyrrolidin-3-yl)carbamoylamino]ethyl]benzoic acid
CID 61465139
7-[(1-methylpiperidin-3-yl)carbamoylamino]heptanoic acid
CID 61223092
1-methyl-N-[3-(4-propan-2-yloxyphenyl)propyl]piperidine-3-carboxamide
CID 132650772
4-(cyclohexylcarbamoylamino)-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]butanamide
CID 52785512
N-[4-(4-methoxyphenyl)butyl]pyrrolidine-1-carboxamide
CID 75377861
1-[2-(4-methoxyphenyl)ethyl]-3-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 18564273
1-cyclohexyl-3-[(4-methoxyphenyl)methyl]urea
CID 854988
1-[3-(4-methoxyphenyl)propyl]-3-(3-methylbutyl)urea
CID 110307723
3-(methoxymethyl)-N-[2-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide
CID 90505512

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methoxyphenyl)propyl]-3-[(3R)-1-methylpiperidin-3-yl]urea?
The IUPAC name of 1-[3-(4-methoxyphenyl)propyl]-3-[(3R)-1-methylpiperidin-3-yl]urea (CID 94441247) is 1-[3-(4-methoxyphenyl)propyl]-3-[(3R)-1-methylpiperidin-3-yl]urea.
What is the SMILES notation for 1-[3-(4-methoxyphenyl)propyl]-3-[(3R)-1-methylpiperidin-3-yl]urea?
The canonical SMILES for 1-[3-(4-methoxyphenyl)propyl]-3-[(3R)-1-methylpiperidin-3-yl]urea is COc1ccc(CCCNC(=O)N[C@@H]2CCCN(C)C2)cc1.
What is the InChIKey of 1-[3-(4-methoxyphenyl)propyl]-3-[(3R)-1-methylpiperidin-3-yl]urea?
The InChIKey is YNMHFMWIWSAKRA-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-20-12-4-6-15(13-20)19-17(21)18-11-3-5-14-7-9-16(22-2)10-8-14/h7-10,15H,3-6,11-13H2,1-2H3,(H2,18,19,21)/t15-/m1/s1.
What are the key properties of 1-[3-(4-methoxyphenyl)propyl]-3-[(3R)-1-methylpiperidin-3-yl]urea?
1-[3-(4-methoxyphenyl)propyl]-3-[(3R)-1-methylpiperidin-3-yl]urea has a molecular weight of 305.42 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methoxyphenyl)propyl]-3-[(3R)-1-methylpiperidin-3-yl]urea is sourced from PubChem (CID 94441247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).