1-[2-(1H-indol-3-yl)ethyl]-3-[4-(2-methylpiperidin-1-yl)butyl]urea

C21H32N4O — CID 55770071

IUPAC1-[2-(1H-indol-3-yl)ethyl]-3-[4-(2-methylpiperidin-1-yl)butyl]urea
SMILESCC1CCCCN1CCCCNC(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C21H32N4O/c1-17-8-4-6-14-25(17)15-7-5-12-22-21(26)23-13-11-18-16-24-20-10-3-2-9-19(18)20/h2-3,9-10,16-17,24H,4-8,11-15H2,1H3,(H2,22,23,26)
InChIKeyWARBHHSGJOFFAW-UHFFFAOYSA-N
MW356.51 g/mol
LogP3.66
Rot. Bonds8

About 1-[2-(1H-indol-3-yl)ethyl]-3-[4-(2-methylpiperidin-1-yl)butyl]urea

1-[2-(1H-indol-3-yl)ethyl]-3-[4-(2-methylpiperidin-1-yl)butyl]urea (PubChem CID 55770071) has the molecular formula C21H32N4O and a molecular weight of 356.51 g/mol. Its IUPAC name is 1-[2-(1H-indol-3-yl)ethyl]-3-[4-(2-methylpiperidin-1-yl)butyl]urea.

Molecular Properties

Compound Name1-[2-(1H-indol-3-yl)ethyl]-3-[4-(2-methylpiperidin-1-yl)butyl]urea
PubChem CID55770071
Molecular FormulaC21H32N4O
Molecular Weight356.51 g/mol
Exact Mass356.26
IUPAC Name1-[2-(1H-indol-3-yl)ethyl]-3-[4-(2-methylpiperidin-1-yl)butyl]urea
SMILESCC1CCCCN1CCCCNC(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C21H32N4O/c1-17-8-4-6-14-25(17)15-7-5-12-22-21(26)23-13-11-18-16-24-20-10-3-2-9-19(18)20/h2-3,9-10,16-17,24H,4-8,11-15H2,1H3,(H2,22,23,26)
InChIKeyWARBHHSGJOFFAW-UHFFFAOYSA-N
XLogP3.66
TPSA60.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-cyclohexylethyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 108888651
1-[(E)-2-cyclopropylprop-1-enyl]-3-[2-(1H-indol-3-yl)ethyl]urea
CID 108915571
1-[3-(cyclopropylmethoxy)propyl]-3-[2-(1H-indol-3-yl)ethyl]urea
CID 86992805
2-(2-methyl-1H-indol-3-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]-2-oxoacetamide
CID 16800787
1-(1H-indol-3-yl)-2-(2-methylpiperidin-1-yl)ethanone
CID 3733485
1-(2-hydroxyethyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 110894130
1-[2-(1H-indol-3-yl)ethyl]-3-(2-morpholin-4-ylethyl)urea
CID 108988276
N-[2-(1H-indol-3-yl)ethyl]thiane-2-carboxamide
CID 110853397
1-[2-(1H-indol-3-yl)ethyl]-3-(methoxymethyl)urea
CID 110675938
1-(cyanomethyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 108864863
1-(3-hydroxypropyl)-3-[3-(1H-indol-3-yl)propyl]urea
CID 111108819
N-[2-(1H-indol-3-yl)ethyl]-4-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109146249

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1H-indol-3-yl)ethyl]-3-[4-(2-methylpiperidin-1-yl)butyl]urea?
The IUPAC name of 1-[2-(1H-indol-3-yl)ethyl]-3-[4-(2-methylpiperidin-1-yl)butyl]urea (CID 55770071) is 1-[2-(1H-indol-3-yl)ethyl]-3-[4-(2-methylpiperidin-1-yl)butyl]urea.
What is the SMILES notation for 1-[2-(1H-indol-3-yl)ethyl]-3-[4-(2-methylpiperidin-1-yl)butyl]urea?
The canonical SMILES for 1-[2-(1H-indol-3-yl)ethyl]-3-[4-(2-methylpiperidin-1-yl)butyl]urea is CC1CCCCN1CCCCNC(=O)NCCc1c[nH]c2ccccc12.
What is the InChIKey of 1-[2-(1H-indol-3-yl)ethyl]-3-[4-(2-methylpiperidin-1-yl)butyl]urea?
The InChIKey is WARBHHSGJOFFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O/c1-17-8-4-6-14-25(17)15-7-5-12-22-21(26)23-13-11-18-16-24-20-10-3-2-9-19(18)20/h2-3,9-10,16-17,24H,4-8,11-15H2,1H3,(H2,22,23,26).
What are the key properties of 1-[2-(1H-indol-3-yl)ethyl]-3-[4-(2-methylpiperidin-1-yl)butyl]urea?
1-[2-(1H-indol-3-yl)ethyl]-3-[4-(2-methylpiperidin-1-yl)butyl]urea has a molecular weight of 356.51 g/mol, XLogP of 3.66, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1H-indol-3-yl)ethyl]-3-[4-(2-methylpiperidin-1-yl)butyl]urea is sourced from PubChem (CID 55770071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).