5-[[1-(cyclohexanecarbonyl)piperidin-4-yl]carbamoylamino]-2-methyl-N-propan-2-ylbenzamide

C24H36N4O3 — CID 86902530

IUPAC5-[[1-(cyclohexanecarbonyl)piperidin-4-yl]carbamoylamino]-2-methyl-N-propan-2-ylbenzamide
SMILESCc1ccc(NC(=O)NC2CCN(C(=O)C3CCCCC3)CC2)cc1C(=O)NC(C)C
InChIInChI=1S/C24H36N4O3/c1-16(2)25-22(29)21-15-20(10-9-17(21)3)27-24(31)26-19-11-13-28(14-12-19)23(30)18-7-5-4-6-8-18/h9-10,15-16,18-19H,4-8,11-14H2,1-3H3,(H,25,29)(H2,26,27,31)
InChIKeyUWRRQYAJUJFUGL-UHFFFAOYSA-N
MW428.58 g/mol
LogP3.83
Rot. Bonds5

About 5-[[1-(cyclohexanecarbonyl)piperidin-4-yl]carbamoylamino]-2-methyl-N-propan-2-ylbenzamide

5-[[1-(cyclohexanecarbonyl)piperidin-4-yl]carbamoylamino]-2-methyl-N-propan-2-ylbenzamide (PubChem CID 86902530) has the molecular formula C24H36N4O3 and a molecular weight of 428.58 g/mol. Its IUPAC name is 5-[[1-(cyclohexanecarbonyl)piperidin-4-yl]carbamoylamino]-2-methyl-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name5-[[1-(cyclohexanecarbonyl)piperidin-4-yl]carbamoylamino]-2-methyl-N-propan-2-ylbenzamide
PubChem CID86902530
Molecular FormulaC24H36N4O3
Molecular Weight428.58 g/mol
Exact Mass428.28
IUPAC Name5-[[1-(cyclohexanecarbonyl)piperidin-4-yl]carbamoylamino]-2-methyl-N-propan-2-ylbenzamide
SMILESCc1ccc(NC(=O)NC2CCN(C(=O)C3CCCCC3)CC2)cc1C(=O)NC(C)C
InChIInChI=1S/C24H36N4O3/c1-16(2)25-22(29)21-15-20(10-9-17(21)3)27-24(31)26-19-11-13-28(14-12-19)23(30)18-7-5-4-6-8-18/h9-10,15-16,18-19H,4-8,11-14H2,1-3H3,(H,25,29)(H2,26,27,31)
InChIKeyUWRRQYAJUJFUGL-UHFFFAOYSA-N
XLogP3.83
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.58
LogP ≤ 53.83
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-[3-[[1-(cyclopropanecarbonyl)piperidin-4-yl]carbamoylamino]-4-methylphenyl]propanamide
CID 47041686
4-(cyclohexylcarbamoylamino)-N-propan-2-ylbenzamide
CID 17180621
1-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(3-methylphenyl)thiourea
CID 43075817
3-acetamido-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]benzamide
CID 108553808
1-(3-chloro-4-methylphenyl)-3-cycloheptylurea
CID 73352041
N-(3-bromo-4-methylphenyl)-1-(cyclobutanecarbonyl)piperidine-4-carboxamide
CID 113007435
CID 161004639
CID 161004639
1-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-(4-fluorophenyl)urea
CID 95302516
methyl 4-[(3-fluoro-4-methylphenyl)carbamoylamino]piperidine-1-carboxylate
CID 86842324
1-(3-bromo-4-methylphenyl)-3-(1-methylpiperidin-4-yl)urea
CID 110866440
1-(3-chloro-4-methylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea
CID 24528836

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(cyclohexanecarbonyl)piperidin-4-yl]carbamoylamino]-2-methyl-N-propan-2-ylbenzamide?
The IUPAC name of 5-[[1-(cyclohexanecarbonyl)piperidin-4-yl]carbamoylamino]-2-methyl-N-propan-2-ylbenzamide (CID 86902530) is 5-[[1-(cyclohexanecarbonyl)piperidin-4-yl]carbamoylamino]-2-methyl-N-propan-2-ylbenzamide.
What is the SMILES notation for 5-[[1-(cyclohexanecarbonyl)piperidin-4-yl]carbamoylamino]-2-methyl-N-propan-2-ylbenzamide?
The canonical SMILES for 5-[[1-(cyclohexanecarbonyl)piperidin-4-yl]carbamoylamino]-2-methyl-N-propan-2-ylbenzamide is Cc1ccc(NC(=O)NC2CCN(C(=O)C3CCCCC3)CC2)cc1C(=O)NC(C)C.
What is the InChIKey of 5-[[1-(cyclohexanecarbonyl)piperidin-4-yl]carbamoylamino]-2-methyl-N-propan-2-ylbenzamide?
The InChIKey is UWRRQYAJUJFUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4O3/c1-16(2)25-22(29)21-15-20(10-9-17(21)3)27-24(31)26-19-11-13-28(14-12-19)23(30)18-7-5-4-6-8-18/h9-10,15-16,18-19H,4-8,11-14H2,1-3H3,(H,25,29)(H2,26,27,31).
What are the key properties of 5-[[1-(cyclohexanecarbonyl)piperidin-4-yl]carbamoylamino]-2-methyl-N-propan-2-ylbenzamide?
5-[[1-(cyclohexanecarbonyl)piperidin-4-yl]carbamoylamino]-2-methyl-N-propan-2-ylbenzamide has a molecular weight of 428.58 g/mol, XLogP of 3.83, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(cyclohexanecarbonyl)piperidin-4-yl]carbamoylamino]-2-methyl-N-propan-2-ylbenzamide is sourced from PubChem (CID 86902530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).