1-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-[1-(2-methylpropyl)indol-5-yl]urea

C25H36N4O2 — CID 56527629

IUPAC1-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-[1-(2-methylpropyl)indol-5-yl]urea
SMILESCC(C)Cn1ccc2cc(NC(=O)NC3CCN(C(=O)C4CCCCC4)CC3)ccc21
InChIInChI=1S/C25H36N4O2/c1-18(2)17-29-13-10-20-16-22(8-9-23(20)29)27-25(31)26-21-11-14-28(15-12-21)24(30)19-6-4-3-5-7-19/h8-10,13,16,18-19,21H,3-7,11-12,14-15,17H2,1-2H3,(H2,26,27,31)
InChIKeyFTCGYIBWXAGWGU-UHFFFAOYSA-N
MW424.59 g/mol
LogP4.99
Rot. Bonds5

About 1-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-[1-(2-methylpropyl)indol-5-yl]urea

1-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-[1-(2-methylpropyl)indol-5-yl]urea (PubChem CID 56527629) has the molecular formula C25H36N4O2 and a molecular weight of 424.59 g/mol. Its IUPAC name is 1-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-[1-(2-methylpropyl)indol-5-yl]urea.

Molecular Properties

Compound Name1-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-[1-(2-methylpropyl)indol-5-yl]urea
PubChem CID56527629
Molecular FormulaC25H36N4O2
Molecular Weight424.59 g/mol
Exact Mass424.28
IUPAC Name1-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-[1-(2-methylpropyl)indol-5-yl]urea
SMILESCC(C)Cn1ccc2cc(NC(=O)NC3CCN(C(=O)C4CCCCC4)CC3)ccc21
InChIInChI=1S/C25H36N4O2/c1-18(2)17-29-13-10-20-16-22(8-9-23(20)29)27-25(31)26-21-11-14-28(15-12-21)24(30)19-6-4-3-5-7-19/h8-10,13,16,18-19,21H,3-7,11-12,14-15,17H2,1-2H3,(H2,26,27,31)
InChIKeyFTCGYIBWXAGWGU-UHFFFAOYSA-N
XLogP4.99
TPSA66.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.59
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[1-(cyclohexanecarbonyl)piperidin-4-yl]-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

4-(cyclohexylcarbamoylamino)-N-[1-(2-methylpropyl)indol-5-yl]piperidine-1-carboxamide
CID 56554619
N-[1-(2-methylpropyl)indol-5-yl]pyrrolidine-1-carboxamide
CID 52865791
N,N-dimethyl-2-[5-[[1-(2-methylpropanoyl)piperidin-4-yl]carbamoylamino]indol-1-yl]acetamide
CID 56566441
4-(hydroxymethyl)-N-[1-(2-methylpropyl)indol-5-yl]piperidine-1-carboxamide
CID 110936365
5-[[1-(cyclohexanecarbonyl)piperidin-4-yl]carbamoylamino]-2-methyl-N-propan-2-ylbenzamide
CID 86902530
3-(hydroxymethyl)-N-[1-(2-methylpropyl)indol-5-yl]pyrrolidine-1-carboxamide
CID 111443241
N-[1-(2-methylpropyl)indol-5-yl]thiomorpholine-4-carboxamide
CID 52865783
2-hydroxy-N-[1-(2-methylpropyl)indol-5-yl]cyclopentane-1-carboxamide
CID 110014325
1-[(1-methylpiperidin-3-yl)methyl]-3-[1-(2-methylpropyl)indol-5-yl]urea
CID 126767118
1-(1-hydroxy-2-methylpropan-2-yl)-3-[1-(2-methylpropyl)indol-5-yl]urea
CID 111976911
1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[1-(2-methylpropyl)indol-5-yl]urea
CID 56527654
1-(4-hydroxycyclohexyl)-3-(1-propylindol-5-yl)urea
CID 110936399

Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-[1-(2-methylpropyl)indol-5-yl]urea?
The IUPAC name of 1-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-[1-(2-methylpropyl)indol-5-yl]urea (CID 56527629) is 1-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-[1-(2-methylpropyl)indol-5-yl]urea.
What is the SMILES notation for 1-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-[1-(2-methylpropyl)indol-5-yl]urea?
The canonical SMILES for 1-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-[1-(2-methylpropyl)indol-5-yl]urea is CC(C)Cn1ccc2cc(NC(=O)NC3CCN(C(=O)C4CCCCC4)CC3)ccc21.
What is the InChIKey of 1-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-[1-(2-methylpropyl)indol-5-yl]urea?
The InChIKey is FTCGYIBWXAGWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N4O2/c1-18(2)17-29-13-10-20-16-22(8-9-23(20)29)27-25(31)26-21-11-14-28(15-12-21)24(30)19-6-4-3-5-7-19/h8-10,13,16,18-19,21H,3-7,11-12,14-15,17H2,1-2H3,(H2,26,27,31).
What are the key properties of 1-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-[1-(2-methylpropyl)indol-5-yl]urea?
1-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-[1-(2-methylpropyl)indol-5-yl]urea has a molecular weight of 424.59 g/mol, XLogP of 4.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-[1-(2-methylpropyl)indol-5-yl]urea is sourced from PubChem (CID 56527629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).