1-[(1-methylpiperidin-3-yl)methyl]-3-[1-(2-methylpropyl)indol-5-yl]urea

C20H30N4O — CID 126767118

IUPAC1-[(1-methylpiperidin-3-yl)methyl]-3-[1-(2-methylpropyl)indol-5-yl]urea
SMILESCC(C)Cn1ccc2cc(NC(=O)NCC3CCCN(C)C3)ccc21
InChIInChI=1S/C20H30N4O/c1-15(2)13-24-10-8-17-11-18(6-7-19(17)24)22-20(25)21-12-16-5-4-9-23(3)14-16/h6-8,10-11,15-16H,4-5,9,12-14H2,1-3H3,(H2,21,22,25)
InChIKeyMVDGSGPPHFEFFS-UHFFFAOYSA-N
MW342.49 g/mol
LogP3.76
Rot. Bonds5

About 1-[(1-methylpiperidin-3-yl)methyl]-3-[1-(2-methylpropyl)indol-5-yl]urea

1-[(1-methylpiperidin-3-yl)methyl]-3-[1-(2-methylpropyl)indol-5-yl]urea (PubChem CID 126767118) has the molecular formula C20H30N4O and a molecular weight of 342.49 g/mol. Its IUPAC name is 1-[(1-methylpiperidin-3-yl)methyl]-3-[1-(2-methylpropyl)indol-5-yl]urea.

Molecular Properties

Compound Name1-[(1-methylpiperidin-3-yl)methyl]-3-[1-(2-methylpropyl)indol-5-yl]urea
PubChem CID126767118
Molecular FormulaC20H30N4O
Molecular Weight342.49 g/mol
Exact Mass342.24
IUPAC Name1-[(1-methylpiperidin-3-yl)methyl]-3-[1-(2-methylpropyl)indol-5-yl]urea
SMILESCC(C)Cn1ccc2cc(NC(=O)NCC3CCCN(C)C3)ccc21
InChIInChI=1S/C20H30N4O/c1-15(2)13-24-10-8-17-11-18(6-7-19(17)24)22-20(25)21-12-16-5-4-9-23(3)14-16/h6-8,10-11,15-16H,4-5,9,12-14H2,1-3H3,(H2,21,22,25)
InChIKeyMVDGSGPPHFEFFS-UHFFFAOYSA-N
XLogP3.76
TPSA49.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(1-methylpiperidin-3-yl)methyl]-3-[1-(2-methylpropyl)indol-5-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(hydroxymethyl)-N-[1-(2-methylpropyl)indol-5-yl]pyrrolidine-1-carboxamide
CID 111443241
N-[1-(2-methylpropyl)indol-5-yl]pyrrolidine-1-carboxamide
CID 52865791
2-hydroxy-N-[1-(2-methylpropyl)indol-5-yl]cyclopentane-1-carboxamide
CID 110014325
4-(hydroxymethyl)-N-[1-(2-methylpropyl)indol-5-yl]piperidine-1-carboxamide
CID 110936365
1-(3-methylphenyl)-3-[[(3R)-1-methylpiperidin-3-yl]methyl]urea
CID 41256618
1-[1-(2-methylpropyl)indol-5-yl]-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea
CID 56527610
1-[1-(2-methylpropyl)indol-5-yl]-3-(thiophen-3-ylmethyl)urea
CID 56528070
(2R)-2-methyl-N-[1-(2-methylpropyl)indol-5-yl]piperidine-1-carboxamide
CID 97092328
N-[1-(2-methylpropyl)indol-5-yl]thiomorpholine-4-carboxamide
CID 52865783
1-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-[1-(2-methylpropyl)indol-5-yl]urea
CID 56527629
4-(cyclohexylcarbamoylamino)-N-[1-(2-methylpropyl)indol-5-yl]piperidine-1-carboxamide
CID 56554619
1-(1-hydroxy-2-methylpropan-2-yl)-3-[1-(2-methylpropyl)indol-5-yl]urea
CID 111976911

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylpiperidin-3-yl)methyl]-3-[1-(2-methylpropyl)indol-5-yl]urea?
The IUPAC name of 1-[(1-methylpiperidin-3-yl)methyl]-3-[1-(2-methylpropyl)indol-5-yl]urea (CID 126767118) is 1-[(1-methylpiperidin-3-yl)methyl]-3-[1-(2-methylpropyl)indol-5-yl]urea.
What is the SMILES notation for 1-[(1-methylpiperidin-3-yl)methyl]-3-[1-(2-methylpropyl)indol-5-yl]urea?
The canonical SMILES for 1-[(1-methylpiperidin-3-yl)methyl]-3-[1-(2-methylpropyl)indol-5-yl]urea is CC(C)Cn1ccc2cc(NC(=O)NCC3CCCN(C)C3)ccc21.
What is the InChIKey of 1-[(1-methylpiperidin-3-yl)methyl]-3-[1-(2-methylpropyl)indol-5-yl]urea?
The InChIKey is MVDGSGPPHFEFFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O/c1-15(2)13-24-10-8-17-11-18(6-7-19(17)24)22-20(25)21-12-16-5-4-9-23(3)14-16/h6-8,10-11,15-16H,4-5,9,12-14H2,1-3H3,(H2,21,22,25).
What are the key properties of 1-[(1-methylpiperidin-3-yl)methyl]-3-[1-(2-methylpropyl)indol-5-yl]urea?
1-[(1-methylpiperidin-3-yl)methyl]-3-[1-(2-methylpropyl)indol-5-yl]urea has a molecular weight of 342.49 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylpiperidin-3-yl)methyl]-3-[1-(2-methylpropyl)indol-5-yl]urea is sourced from PubChem (CID 126767118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).