1-(3-methoxypropyl)-3-[4-(4-methylpiperidin-1-yl)phenyl]urea

C17H27N3O2 — CID 108988147

IUPAC1-(3-methoxypropyl)-3-[4-(4-methylpiperidin-1-yl)phenyl]urea
SMILESCOCCCNC(=O)Nc1ccc(N2CCC(C)CC2)cc1
InChIInChI=1S/C17H27N3O2/c1-14-8-11-20(12-9-14)16-6-4-15(5-7-16)19-17(21)18-10-3-13-22-2/h4-7,14H,3,8-13H2,1-2H3,(H2,18,19,21)
InChIKeyHXZVFAIXZPRZHW-UHFFFAOYSA-N
MW305.42 g/mol
LogP3.08
Rot. Bonds6

About 1-(3-methoxypropyl)-3-[4-(4-methylpiperidin-1-yl)phenyl]urea

1-(3-methoxypropyl)-3-[4-(4-methylpiperidin-1-yl)phenyl]urea (PubChem CID 108988147) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 1-(3-methoxypropyl)-3-[4-(4-methylpiperidin-1-yl)phenyl]urea.

Molecular Properties

Compound Name1-(3-methoxypropyl)-3-[4-(4-methylpiperidin-1-yl)phenyl]urea
PubChem CID108988147
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name1-(3-methoxypropyl)-3-[4-(4-methylpiperidin-1-yl)phenyl]urea
SMILESCOCCCNC(=O)Nc1ccc(N2CCC(C)CC2)cc1
InChIInChI=1S/C17H27N3O2/c1-14-8-11-20(12-9-14)16-6-4-15(5-7-16)19-17(21)18-10-3-13-22-2/h4-7,14H,3,8-13H2,1-2H3,(H2,18,19,21)
InChIKeyHXZVFAIXZPRZHW-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': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-3-(3-methoxypropyl)urea
CID 94336259
1-[2-(2-chlorophenoxy)ethyl]-3-[4-(4-methylpiperidin-1-yl)phenyl]urea
CID 112970683
5-(butylcarbamoylamino)-N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)benzamide
CID 3631176
1-[2-(3-ethoxyphenoxy)ethyl]-3-[4-(4-methylpiperidin-1-yl)phenyl]urea
CID 112973086
N-(3-methoxypropyl)-5-(4-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109183419
6-(3-methoxypropylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-4-carboxamide
CID 109343244
N-(3-methoxypropyl)-2-[4-(4-methylpiperidin-1-yl)anilino]pyridine-4-carboxamide
CID 109167109
N'-[4-(4-methylpiperidin-1-yl)phenyl]-N-pentyloxamide
CID 108986432
2-[3-methoxypropyl(methylsulfonyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 113149557
N-(2-methoxyethyl)-4-[4-(4-methylpiperidin-1-yl)phenyl]piperazine-1-carboxamide
CID 113105117
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[4-(4-methylpiperidin-1-yl)phenyl]urea
CID 113217521
5-(tert-butylcarbamoylamino)-N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)benzamide
CID 42753069

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropyl)-3-[4-(4-methylpiperidin-1-yl)phenyl]urea?
The IUPAC name of 1-(3-methoxypropyl)-3-[4-(4-methylpiperidin-1-yl)phenyl]urea (CID 108988147) is 1-(3-methoxypropyl)-3-[4-(4-methylpiperidin-1-yl)phenyl]urea.
What is the SMILES notation for 1-(3-methoxypropyl)-3-[4-(4-methylpiperidin-1-yl)phenyl]urea?
The canonical SMILES for 1-(3-methoxypropyl)-3-[4-(4-methylpiperidin-1-yl)phenyl]urea is COCCCNC(=O)Nc1ccc(N2CCC(C)CC2)cc1.
What is the InChIKey of 1-(3-methoxypropyl)-3-[4-(4-methylpiperidin-1-yl)phenyl]urea?
The InChIKey is HXZVFAIXZPRZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-14-8-11-20(12-9-14)16-6-4-15(5-7-16)19-17(21)18-10-3-13-22-2/h4-7,14H,3,8-13H2,1-2H3,(H2,18,19,21).
What are the key properties of 1-(3-methoxypropyl)-3-[4-(4-methylpiperidin-1-yl)phenyl]urea?
1-(3-methoxypropyl)-3-[4-(4-methylpiperidin-1-yl)phenyl]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-(3-methoxypropyl)-3-[4-(4-methylpiperidin-1-yl)phenyl]urea is sourced from PubChem (CID 108988147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).