N-butyl-4-methylpiperidine-1-carboxamide

C11H22N2O — CID 6467412

IUPACN-butyl-4-methylpiperidine-1-carboxamide
SMILESCCCCNC(=O)N1CCC(C)CC1
InChIInChI=1S/C11H22N2O/c1-3-4-7-12-11(14)13-8-5-10(2)6-9-13/h10H,3-9H2,1-2H3,(H,12,14)
InChIKeyGASMLRFTKRLWLW-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.23
Rot. Bonds3

About N-butyl-4-methylpiperidine-1-carboxamide

N-butyl-4-methylpiperidine-1-carboxamide (PubChem CID 6467412) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is N-butyl-4-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-butyl-4-methylpiperidine-1-carboxamide
PubChem CID6467412
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC NameN-butyl-4-methylpiperidine-1-carboxamide
SMILESCCCCNC(=O)N1CCC(C)CC1
InChIInChI=1S/C11H22N2O/c1-3-4-7-12-11(14)13-8-5-10(2)6-9-13/h10H,3-9H2,1-2H3,(H,12,14)
InChIKeyGASMLRFTKRLWLW-UHFFFAOYSA-N
XLogP2.23
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butyl-4-methylpiperidine-1-carboxamide?
The IUPAC name of N-butyl-4-methylpiperidine-1-carboxamide (CID 6467412) is N-butyl-4-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-butyl-4-methylpiperidine-1-carboxamide?
The canonical SMILES for N-butyl-4-methylpiperidine-1-carboxamide is CCCCNC(=O)N1CCC(C)CC1.
What is the InChIKey of N-butyl-4-methylpiperidine-1-carboxamide?
The InChIKey is GASMLRFTKRLWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-3-4-7-12-11(14)13-8-5-10(2)6-9-13/h10H,3-9H2,1-2H3,(H,12,14).
What are the key properties of N-butyl-4-methylpiperidine-1-carboxamide?
N-butyl-4-methylpiperidine-1-carboxamide has a molecular weight of 198.31 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-methylpiperidine-1-carboxamide is sourced from PubChem (CID 6467412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).