4-(4-methylpiperazine-1-carbonyl)-N-pentylcyclohexane-1-carboxamide

C18H33N3O2 — CID 109147401

IUPAC4-(4-methylpiperazine-1-carbonyl)-N-pentylcyclohexane-1-carboxamide
SMILESCCCCCNC(=O)C1CCC(C(=O)N2CCN(C)CC2)CC1
InChIInChI=1S/C18H33N3O2/c1-3-4-5-10-19-17(22)15-6-8-16(9-7-15)18(23)21-13-11-20(2)12-14-21/h15-16H,3-14H2,1-2H3,(H,19,22)
InChIKeyLBXFVQACAKKXAP-UHFFFAOYSA-N
MW323.48 g/mol
LogP1.87
Rot. Bonds6

About 4-(4-methylpiperazine-1-carbonyl)-N-pentylcyclohexane-1-carboxamide

4-(4-methylpiperazine-1-carbonyl)-N-pentylcyclohexane-1-carboxamide (PubChem CID 109147401) has the molecular formula C18H33N3O2 and a molecular weight of 323.48 g/mol. Its IUPAC name is 4-(4-methylpiperazine-1-carbonyl)-N-pentylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(4-methylpiperazine-1-carbonyl)-N-pentylcyclohexane-1-carboxamide
PubChem CID109147401
Molecular FormulaC18H33N3O2
Molecular Weight323.48 g/mol
Exact Mass323.26
IUPAC Name4-(4-methylpiperazine-1-carbonyl)-N-pentylcyclohexane-1-carboxamide
SMILESCCCCCNC(=O)C1CCC(C(=O)N2CCN(C)CC2)CC1
InChIInChI=1S/C18H33N3O2/c1-3-4-5-10-19-17(22)15-6-8-16(9-7-15)18(23)21-13-11-20(2)12-14-21/h15-16H,3-14H2,1-2H3,(H,19,22)
InChIKeyLBXFVQACAKKXAP-UHFFFAOYSA-N
XLogP1.87
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(cyclobutanecarbonyl)-N-pentylpiperidine-4-carboxamide
CID 113005621
N-butyl-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclohexane-1-carboxamide
CID 109145085
4-(cyclopropanecarbonyl)-N-propylpiperazine-1-carboxamide
CID 23794806
4-(4-acetylpiperazine-1-carbonyl)-N-[3-(dimethylamino)propyl]cyclohexane-1-carboxamide
CID 109147237
N-pentyl-4-propan-2-ylcyclohexane-1-carboxamide
CID 166944629
2-(4-methylpiperazin-1-yl)-2-oxo-N-pentylacetamide
CID 108517060
4-[[4-(pentylcarbamoyl)piperidine-1-carbonyl]amino]butanoic acid
CID 122021638
[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]-pyrrolidin-1-ylmethanone
CID 109145589
1-ethylsulfonyl-N-heptylpiperidine-4-carboxamide
CID 174300935
cyclobutyl-(4-methylpiperazin-1-yl)methanone;ethane
CID 176666855
N-butyl-4-(2-ethylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145110
N-[4-(butylamino)-4-oxobutyl]cyclopropanecarboxamide
CID 3067803

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazine-1-carbonyl)-N-pentylcyclohexane-1-carboxamide?
The IUPAC name of 4-(4-methylpiperazine-1-carbonyl)-N-pentylcyclohexane-1-carboxamide (CID 109147401) is 4-(4-methylpiperazine-1-carbonyl)-N-pentylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-(4-methylpiperazine-1-carbonyl)-N-pentylcyclohexane-1-carboxamide?
The canonical SMILES for 4-(4-methylpiperazine-1-carbonyl)-N-pentylcyclohexane-1-carboxamide is CCCCCNC(=O)C1CCC(C(=O)N2CCN(C)CC2)CC1.
What is the InChIKey of 4-(4-methylpiperazine-1-carbonyl)-N-pentylcyclohexane-1-carboxamide?
The InChIKey is LBXFVQACAKKXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O2/c1-3-4-5-10-19-17(22)15-6-8-16(9-7-15)18(23)21-13-11-20(2)12-14-21/h15-16H,3-14H2,1-2H3,(H,19,22).
What are the key properties of 4-(4-methylpiperazine-1-carbonyl)-N-pentylcyclohexane-1-carboxamide?
4-(4-methylpiperazine-1-carbonyl)-N-pentylcyclohexane-1-carboxamide has a molecular weight of 323.48 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazine-1-carbonyl)-N-pentylcyclohexane-1-carboxamide is sourced from PubChem (CID 109147401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).