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

C16H26N4O — CID 43468974

IUPAC1-(4-aminophenyl)-3-[3-(2-methylpiperidin-1-yl)propyl]urea
SMILESCC1CCCCN1CCCNC(=O)Nc1ccc(N)cc1
InChIInChI=1S/C16H26N4O/c1-13-5-2-3-11-20(13)12-4-10-18-16(21)19-15-8-6-14(17)7-9-15/h6-9,13H,2-5,10-12,17H2,1H3,(H2,18,19,21)
InChIKeyOSESWUNFFUCUMB-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.65
Rot. Bonds5

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

1-(4-aminophenyl)-3-[3-(2-methylpiperidin-1-yl)propyl]urea (PubChem CID 43468974) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-(4-aminophenyl)-3-[3-(2-methylpiperidin-1-yl)propyl]urea.

Molecular Properties

Compound Name1-(4-aminophenyl)-3-[3-(2-methylpiperidin-1-yl)propyl]urea
PubChem CID43468974
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name1-(4-aminophenyl)-3-[3-(2-methylpiperidin-1-yl)propyl]urea
SMILESCC1CCCCN1CCCNC(=O)Nc1ccc(N)cc1
InChIInChI=1S/C16H26N4O/c1-13-5-2-3-11-20(13)12-4-10-18-16(21)19-15-8-6-14(17)7-9-15/h6-9,13H,2-5,10-12,17H2,1H3,(H2,18,19,21)
InChIKeyOSESWUNFFUCUMB-UHFFFAOYSA-N
XLogP2.65
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-3-[4-[[4-[3-[(2R)-2-methylpiperidin-1-yl]propylcarbamoylamino]phenyl]methyl]phenyl]urea
CID 124924200
4-amino-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide
CID 38989093
1-(3-methylphenyl)-3-[3-(2-methylpiperidin-1-yl)propyl]urea
CID 51244180
1-(4-aminophenyl)-3-(3-pyrrolidin-1-ylpropyl)urea
CID 62991029
ethyl N-[4-[3-[(2S)-2-methylpiperidin-1-yl]propylcarbamoyl]phenyl]carbamate
CID 9473918
1-(4-aminophenyl)-3-(2-pyrrolidin-1-ylethyl)urea
CID 55097980
4-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]butanoic acid
CID 61183703
N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 60668475
N-[3-(2-methylpiperidin-1-yl)propyl]cyclopropanecarboxamide
CID 60668524
1-(1-ethylpyrazol-4-yl)-3-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]urea
CID 94145583
1-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-3-[4-(3-piperidin-1-ylcyclobutyl)oxyphenyl]urea
CID 169098988
2-amino-N-[4-(2-methylpiperidin-1-yl)butyl]benzamide
CID 119946610

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-3-[3-(2-methylpiperidin-1-yl)propyl]urea?
The IUPAC name of 1-(4-aminophenyl)-3-[3-(2-methylpiperidin-1-yl)propyl]urea (CID 43468974) is 1-(4-aminophenyl)-3-[3-(2-methylpiperidin-1-yl)propyl]urea.
What is the SMILES notation for 1-(4-aminophenyl)-3-[3-(2-methylpiperidin-1-yl)propyl]urea?
The canonical SMILES for 1-(4-aminophenyl)-3-[3-(2-methylpiperidin-1-yl)propyl]urea is CC1CCCCN1CCCNC(=O)Nc1ccc(N)cc1.
What is the InChIKey of 1-(4-aminophenyl)-3-[3-(2-methylpiperidin-1-yl)propyl]urea?
The InChIKey is OSESWUNFFUCUMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-13-5-2-3-11-20(13)12-4-10-18-16(21)19-15-8-6-14(17)7-9-15/h6-9,13H,2-5,10-12,17H2,1H3,(H2,18,19,21).
What are the key properties of 1-(4-aminophenyl)-3-[3-(2-methylpiperidin-1-yl)propyl]urea?
1-(4-aminophenyl)-3-[3-(2-methylpiperidin-1-yl)propyl]urea has a molecular weight of 290.41 g/mol, XLogP of 2.65, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-3-[3-(2-methylpiperidin-1-yl)propyl]urea is sourced from PubChem (CID 43468974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).