4-(cyclohexylcarbamoylamino)-N-[1-(2-methylpropyl)indol-5-yl]piperidine-1-carboxamide

C25H37N5O2 — CID 56554619

IUPAC4-(cyclohexylcarbamoylamino)-N-[1-(2-methylpropyl)indol-5-yl]piperidine-1-carboxamide
SMILESCC(C)Cn1ccc2cc(NC(=O)N3CCC(NC(=O)NC4CCCCC4)CC3)ccc21
InChIInChI=1S/C25H37N5O2/c1-18(2)17-30-13-10-19-16-22(8-9-23(19)30)28-25(32)29-14-11-21(12-15-29)27-24(31)26-20-6-4-3-5-7-20/h8-10,13,16,18,20-21H,3-7,11-12,14-15,17H2,1-2H3,(H,28,32)(H2,26,27,31)
InChIKeyBCRLRRKOJRMVOF-UHFFFAOYSA-N
MW439.60 g/mol
LogP4.93
Rot. Bonds5

About 4-(cyclohexylcarbamoylamino)-N-[1-(2-methylpropyl)indol-5-yl]piperidine-1-carboxamide

4-(cyclohexylcarbamoylamino)-N-[1-(2-methylpropyl)indol-5-yl]piperidine-1-carboxamide (PubChem CID 56554619) has the molecular formula C25H37N5O2 and a molecular weight of 439.60 g/mol. Its IUPAC name is 4-(cyclohexylcarbamoylamino)-N-[1-(2-methylpropyl)indol-5-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(cyclohexylcarbamoylamino)-N-[1-(2-methylpropyl)indol-5-yl]piperidine-1-carboxamide
PubChem CID56554619
Molecular FormulaC25H37N5O2
Molecular Weight439.60 g/mol
Exact Mass439.29
IUPAC Name4-(cyclohexylcarbamoylamino)-N-[1-(2-methylpropyl)indol-5-yl]piperidine-1-carboxamide
SMILESCC(C)Cn1ccc2cc(NC(=O)N3CCC(NC(=O)NC4CCCCC4)CC3)ccc21
InChIInChI=1S/C25H37N5O2/c1-18(2)17-30-13-10-19-16-22(8-9-23(19)30)28-25(32)29-14-11-21(12-15-29)27-24(31)26-20-6-4-3-5-7-20/h8-10,13,16,18,20-21H,3-7,11-12,14-15,17H2,1-2H3,(H,28,32)(H2,26,27,31)
InChIKeyBCRLRRKOJRMVOF-UHFFFAOYSA-N
XLogP4.93
TPSA78.40 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.60
LogP ≤ 54.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-[1-(2-methylpropyl)indol-5-yl]urea
CID 56527629
N-[1-(2-methylpropyl)indol-5-yl]pyrrolidine-1-carboxamide
CID 52865791
4-(hydroxymethyl)-N-[1-(2-methylpropyl)indol-5-yl]piperidine-1-carboxamide
CID 110936365
N-[1-(2-methylpropyl)indol-5-yl]thiomorpholine-4-carboxamide
CID 52865783
3-(hydroxymethyl)-N-[1-(2-methylpropyl)indol-5-yl]pyrrolidine-1-carboxamide
CID 111443241
(2R)-2-methyl-N-[1-(2-methylpropyl)indol-5-yl]piperidine-1-carboxamide
CID 97092328
4-(4-methoxyphenyl)-N-[1-(2-methylpropyl)indol-5-yl]piperazine-1-carboxamide
CID 56527612
4-(1-hydroxyethyl)-N-(1-propylindol-5-yl)piperidine-1-carboxamide
CID 111424917
N,N-dimethyl-2-[5-[[1-(2-methylpropanoyl)piperidin-4-yl]carbamoylamino]indol-1-yl]acetamide
CID 56566441
1-[(1-methylpiperidin-3-yl)methyl]-3-[1-(2-methylpropyl)indol-5-yl]urea
CID 126767118
2-(4-fluorophenyl)-N-[1-(2-methylpropyl)indol-5-yl]morpholine-4-carboxamide
CID 56527681
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 4-(cyclohexylcarbamoylamino)-N-[1-(2-methylpropyl)indol-5-yl]piperidine-1-carboxamide?
The IUPAC name of 4-(cyclohexylcarbamoylamino)-N-[1-(2-methylpropyl)indol-5-yl]piperidine-1-carboxamide (CID 56554619) is 4-(cyclohexylcarbamoylamino)-N-[1-(2-methylpropyl)indol-5-yl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(cyclohexylcarbamoylamino)-N-[1-(2-methylpropyl)indol-5-yl]piperidine-1-carboxamide?
The canonical SMILES for 4-(cyclohexylcarbamoylamino)-N-[1-(2-methylpropyl)indol-5-yl]piperidine-1-carboxamide is CC(C)Cn1ccc2cc(NC(=O)N3CCC(NC(=O)NC4CCCCC4)CC3)ccc21.
What is the InChIKey of 4-(cyclohexylcarbamoylamino)-N-[1-(2-methylpropyl)indol-5-yl]piperidine-1-carboxamide?
The InChIKey is BCRLRRKOJRMVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N5O2/c1-18(2)17-30-13-10-19-16-22(8-9-23(19)30)28-25(32)29-14-11-21(12-15-29)27-24(31)26-20-6-4-3-5-7-20/h8-10,13,16,18,20-21H,3-7,11-12,14-15,17H2,1-2H3,(H,28,32)(H2,26,27,31).
What are the key properties of 4-(cyclohexylcarbamoylamino)-N-[1-(2-methylpropyl)indol-5-yl]piperidine-1-carboxamide?
4-(cyclohexylcarbamoylamino)-N-[1-(2-methylpropyl)indol-5-yl]piperidine-1-carboxamide has a molecular weight of 439.60 g/mol, XLogP of 4.93, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylcarbamoylamino)-N-[1-(2-methylpropyl)indol-5-yl]piperidine-1-carboxamide is sourced from PubChem (CID 56554619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).