4-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]cyclohexane-1-carboxamide

C17H31N3O — CID 43791695

IUPAC4-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]cyclohexane-1-carboxamide
SMILESCC(C)=CCN1CCC(NC2CCC(C(N)=O)CC2)CC1
InChIInChI=1S/C17H31N3O/c1-13(2)7-10-20-11-8-16(9-12-20)19-15-5-3-14(4-6-15)17(18)21/h7,14-16,19H,3-6,8-12H2,1-2H3,(H2,18,21)
InChIKeyNLBITNAJFWUNDA-UHFFFAOYSA-N
MW293.45 g/mol
LogP2.05
Rot. Bonds5

About 4-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]cyclohexane-1-carboxamide

4-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]cyclohexane-1-carboxamide (PubChem CID 43791695) has the molecular formula C17H31N3O and a molecular weight of 293.45 g/mol. Its IUPAC name is 4-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]cyclohexane-1-carboxamide
PubChem CID43791695
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC Name4-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]cyclohexane-1-carboxamide
SMILESCC(C)=CCN1CCC(NC2CCC(C(N)=O)CC2)CC1
InChIInChI=1S/C17H31N3O/c1-13(2)7-10-20-11-8-16(9-12-20)19-15-5-3-14(4-6-15)17(18)21/h7,14-16,19H,3-6,8-12H2,1-2H3,(H2,18,21)
InChIKeyNLBITNAJFWUNDA-UHFFFAOYSA-N
XLogP2.05
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]cyclohexane-1-carboxamide with MolForge

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Related Compounds

4-amino-N-[(3Z,5E)-5-[(5R)-3,5-dimethylpiperidin-1-yl]hepta-1,3,5-trien-2-yl]cyclohexane-1-carboxamide
CID 89153929
4-[1-(1-Ethylpiperidin-3-yl)ethylamino]cyclohexane-1-carboxamide
CID 43748745
4-[1-(1-Methylpiperidin-4-yl)ethylamino]cyclohexane-1-carboxamide
CID 43748746
4-[1-(1-Methylpiperidin-3-yl)ethylamino]cyclohexane-1-carboxamide
CID 43748747
4-[1-(1-Ethylpiperidin-4-yl)ethylamino]cyclohexane-1-carboxamide
CID 43748748
4-[1-(1-Propylpiperidin-3-yl)ethylamino]cyclohexane-1-carboxamide
CID 43748749
4-[1-(1-Propylpiperidin-4-yl)ethylamino]cyclohexane-1-carboxamide
CID 43748750
4-[(1-Methylpiperidin-4-yl)amino]cyclohexane-1-carboxamide
CID 43748770
4-[(1-Propan-2-ylpiperidin-4-yl)amino]cyclohexane-1-carboxamide
CID 43748773
4-[(1-Ethylpiperidin-4-yl)amino]cyclohexane-1-carboxamide
CID 43748775
4-[(1-Propylpiperidin-4-yl)amino]cyclohexane-1-carboxamide
CID 43748777
4-[(1,2,5-Trimethylpiperidin-4-yl)amino]cyclohexane-1-carboxamide
CID 43748932

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]cyclohexane-1-carboxamide?
The IUPAC name of 4-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]cyclohexane-1-carboxamide (CID 43791695) is 4-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]cyclohexane-1-carboxamide?
The canonical SMILES for 4-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]cyclohexane-1-carboxamide is CC(C)=CCN1CCC(NC2CCC(C(N)=O)CC2)CC1.
What is the InChIKey of 4-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]cyclohexane-1-carboxamide?
The InChIKey is NLBITNAJFWUNDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-13(2)7-10-20-11-8-16(9-12-20)19-15-5-3-14(4-6-15)17(18)21/h7,14-16,19H,3-6,8-12H2,1-2H3,(H2,18,21).
What are the key properties of 4-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]cyclohexane-1-carboxamide?
4-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]cyclohexane-1-carboxamide has a molecular weight of 293.45 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 43791695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).