1-(3-indol-1-ylpropyl)-3-[2-(3-methylpiperidin-1-yl)ethyl]urea

C20H30N4O — CID 78882953

IUPAC1-(3-indol-1-ylpropyl)-3-[2-(3-methylpiperidin-1-yl)ethyl]urea
SMILESCC1CCCN(CCNC(=O)NCCCn2ccc3ccccc32)C1
InChIInChI=1S/C20H30N4O/c1-17-6-4-12-23(16-17)15-11-22-20(25)21-10-5-13-24-14-9-18-7-2-3-8-19(18)24/h2-3,7-9,14,17H,4-6,10-13,15-16H2,1H3,(H2,21,22,25)
InChIKeyIPVGRTOFDOXZRU-UHFFFAOYSA-N
MW342.49 g/mol
LogP3.06
Rot. Bonds7

About 1-(3-indol-1-ylpropyl)-3-[2-(3-methylpiperidin-1-yl)ethyl]urea

1-(3-indol-1-ylpropyl)-3-[2-(3-methylpiperidin-1-yl)ethyl]urea (PubChem CID 78882953) has the molecular formula C20H30N4O and a molecular weight of 342.49 g/mol. Its IUPAC name is 1-(3-indol-1-ylpropyl)-3-[2-(3-methylpiperidin-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-(3-indol-1-ylpropyl)-3-[2-(3-methylpiperidin-1-yl)ethyl]urea
PubChem CID78882953
Molecular FormulaC20H30N4O
Molecular Weight342.49 g/mol
Exact Mass342.24
IUPAC Name1-(3-indol-1-ylpropyl)-3-[2-(3-methylpiperidin-1-yl)ethyl]urea
SMILESCC1CCCN(CCNC(=O)NCCCn2ccc3ccccc32)C1
InChIInChI=1S/C20H30N4O/c1-17-6-4-12-23(16-17)15-11-22-20(25)21-10-5-13-24-14-9-18-7-2-3-8-19(18)24/h2-3,7-9,14,17H,4-6,10-13,15-16H2,1H3,(H2,21,22,25)
InChIKeyIPVGRTOFDOXZRU-UHFFFAOYSA-N
XLogP3.06
TPSA49.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(3-indol-1-ylpropyl)-3-[2-(3-methylpiperidin-1-yl)ethyl]urea with MolForge

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Related Compounds

1-(3-indol-1-ylpropyl)-3-(3-piperidin-1-ylpropyl)urea
CID 112806234
1-[[2-(hydroxymethyl)phenyl]methyl]-3-[4-(3-methylpiperidin-1-yl)butyl]urea
CID 110911703
N-[4-(3-methylpiperidin-1-yl)butyl]naphthalene-2-carboxamide
CID 51115800
4-(cyclohexylcarbamoylamino)-N-(3-indol-1-ylpropyl)butanamide
CID 16614939
1-(4-hydroxy-2-phenylbutyl)-3-[2-(3-methylpiperidin-1-yl)ethyl]urea
CID 111450528
1-(3-indol-1-ylpropyl)-2-methyl-3-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]guanidine
CID 111341971
3-indol-1-yl-N-(4-pyrrolidin-1-ylbutyl)propanamide
CID 84556804
1-[[2-(hydroxymethyl)phenyl]methyl]-3-(3-indol-1-ylpropyl)urea
CID 110911712
3-hydroxy-N-[2-(3-methylpiperidin-1-yl)ethyl]-3-phenylbutanamide
CID 110024824
1-(cyclohexylmethyl)-3-(3-indol-1-ylpropyl)-1-methylurea
CID 112831559
(2S)-N-(3-indol-1-ylpropyl)-2-methylsulfonylpropanamide
CID 94154350
N-(3-indol-1-ylpropyl)-2-methyl-2-(methylamino)propanamide
CID 62845640

Frequently Asked Questions

What is the IUPAC name of 1-(3-indol-1-ylpropyl)-3-[2-(3-methylpiperidin-1-yl)ethyl]urea?
The IUPAC name of 1-(3-indol-1-ylpropyl)-3-[2-(3-methylpiperidin-1-yl)ethyl]urea (CID 78882953) is 1-(3-indol-1-ylpropyl)-3-[2-(3-methylpiperidin-1-yl)ethyl]urea.
What is the SMILES notation for 1-(3-indol-1-ylpropyl)-3-[2-(3-methylpiperidin-1-yl)ethyl]urea?
The canonical SMILES for 1-(3-indol-1-ylpropyl)-3-[2-(3-methylpiperidin-1-yl)ethyl]urea is CC1CCCN(CCNC(=O)NCCCn2ccc3ccccc32)C1.
What is the InChIKey of 1-(3-indol-1-ylpropyl)-3-[2-(3-methylpiperidin-1-yl)ethyl]urea?
The InChIKey is IPVGRTOFDOXZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O/c1-17-6-4-12-23(16-17)15-11-22-20(25)21-10-5-13-24-14-9-18-7-2-3-8-19(18)24/h2-3,7-9,14,17H,4-6,10-13,15-16H2,1H3,(H2,21,22,25).
What are the key properties of 1-(3-indol-1-ylpropyl)-3-[2-(3-methylpiperidin-1-yl)ethyl]urea?
1-(3-indol-1-ylpropyl)-3-[2-(3-methylpiperidin-1-yl)ethyl]urea has a molecular weight of 342.49 g/mol, XLogP of 3.06, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-indol-1-ylpropyl)-3-[2-(3-methylpiperidin-1-yl)ethyl]urea is sourced from PubChem (CID 78882953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).