4-(cyclohexylcarbamoylamino)-N-[4-(2-methylpiperidin-1-yl)butyl]butanamide

C21H40N4O2 — CID 60516245

IUPAC4-(cyclohexylcarbamoylamino)-N-[4-(2-methylpiperidin-1-yl)butyl]butanamide
SMILESCC1CCCCN1CCCCNC(=O)CCCNC(=O)NC1CCCCC1
InChIInChI=1S/C21H40N4O2/c1-18-10-5-7-16-25(18)17-8-6-14-22-20(26)13-9-15-23-21(27)24-19-11-3-2-4-12-19/h18-19H,2-17H2,1H3,(H,22,26)(H2,23,24,27)
InChIKeyZRBNXGLATIPACY-UHFFFAOYSA-N
MW380.58 g/mol
LogP3.17
Rot. Bonds10

About 4-(cyclohexylcarbamoylamino)-N-[4-(2-methylpiperidin-1-yl)butyl]butanamide

4-(cyclohexylcarbamoylamino)-N-[4-(2-methylpiperidin-1-yl)butyl]butanamide (PubChem CID 60516245) has the molecular formula C21H40N4O2 and a molecular weight of 380.58 g/mol. Its IUPAC name is 4-(cyclohexylcarbamoylamino)-N-[4-(2-methylpiperidin-1-yl)butyl]butanamide.

Molecular Properties

Compound Name4-(cyclohexylcarbamoylamino)-N-[4-(2-methylpiperidin-1-yl)butyl]butanamide
PubChem CID60516245
Molecular FormulaC21H40N4O2
Molecular Weight380.58 g/mol
Exact Mass380.32
IUPAC Name4-(cyclohexylcarbamoylamino)-N-[4-(2-methylpiperidin-1-yl)butyl]butanamide
SMILESCC1CCCCN1CCCCNC(=O)CCCNC(=O)NC1CCCCC1
InChIInChI=1S/C21H40N4O2/c1-18-10-5-7-16-25(18)17-8-6-14-22-20(26)13-9-15-23-21(27)24-19-11-3-2-4-12-19/h18-19H,2-17H2,1H3,(H,22,26)(H2,23,24,27)
InChIKeyZRBNXGLATIPACY-UHFFFAOYSA-N
XLogP3.17
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.58
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]butanoic acid
CID 61183703
1-(2-hydroxycyclohexyl)-3-[4-(2-methylpiperidin-1-yl)butyl]urea
CID 110933279
1-cyclohexyl-3-(5-piperidin-1-ylpentyl)urea
CID 110446919
1-cyclopropyl-2-methyl-3-[4-(2-methylpiperidin-1-yl)butyl]guanidine
CID 110934011
N-cyclohexyl-3-[[N-ethyl-N'-[3-(2-methylpiperidin-1-yl)propyl]carbamimidoyl]amino]propanamide;hydroiodide
CID 111370438
3-(cyclohexylcarbamoylamino)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide
CID 18157282
N-butan-2-yl-4-(cyclohexylcarbamoylamino)butanamide
CID 134056980
N-[3-(2-methylpiperidin-1-yl)propyl]cyclopropanecarboxamide
CID 60668524
3-methyl-3-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]butanoic acid
CID 64701409
N-cyclopropyl-4-[[ethylamino-[3-(2-methylpiperidin-1-yl)propylamino]methylidene]amino]butanamide
CID 111370291
2-methyl-2-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]propanoic acid
CID 61265357
N-[3-(2-methylpiperidin-1-yl)propyl]cyclohexanamine
CID 43178283

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylcarbamoylamino)-N-[4-(2-methylpiperidin-1-yl)butyl]butanamide?
The IUPAC name of 4-(cyclohexylcarbamoylamino)-N-[4-(2-methylpiperidin-1-yl)butyl]butanamide (CID 60516245) is 4-(cyclohexylcarbamoylamino)-N-[4-(2-methylpiperidin-1-yl)butyl]butanamide.
What is the SMILES notation for 4-(cyclohexylcarbamoylamino)-N-[4-(2-methylpiperidin-1-yl)butyl]butanamide?
The canonical SMILES for 4-(cyclohexylcarbamoylamino)-N-[4-(2-methylpiperidin-1-yl)butyl]butanamide is CC1CCCCN1CCCCNC(=O)CCCNC(=O)NC1CCCCC1.
What is the InChIKey of 4-(cyclohexylcarbamoylamino)-N-[4-(2-methylpiperidin-1-yl)butyl]butanamide?
The InChIKey is ZRBNXGLATIPACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40N4O2/c1-18-10-5-7-16-25(18)17-8-6-14-22-20(26)13-9-15-23-21(27)24-19-11-3-2-4-12-19/h18-19H,2-17H2,1H3,(H,22,26)(H2,23,24,27).
What are the key properties of 4-(cyclohexylcarbamoylamino)-N-[4-(2-methylpiperidin-1-yl)butyl]butanamide?
4-(cyclohexylcarbamoylamino)-N-[4-(2-methylpiperidin-1-yl)butyl]butanamide has a molecular weight of 380.58 g/mol, XLogP of 3.17, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylcarbamoylamino)-N-[4-(2-methylpiperidin-1-yl)butyl]butanamide is sourced from PubChem (CID 60516245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).