1-(3-methylbutyl)piperidine-4-carboxamide

C11H22N2O — CID 3261367

IUPAC1-(3-methylbutyl)piperidine-4-carboxamide
SMILESCC(C)CCN1CCC(C(N)=O)CC1
InChIInChI=1S/C11H22N2O/c1-9(2)3-6-13-7-4-10(5-8-13)11(12)14/h9-10H,3-8H2,1-2H3,(H2,12,14)
InChIKeyYCTSBMOHEVMKLG-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.23
Rot. Bonds4

About 1-(3-methylbutyl)piperidine-4-carboxamide

1-(3-methylbutyl)piperidine-4-carboxamide (PubChem CID 3261367) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-(3-methylbutyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-methylbutyl)piperidine-4-carboxamide
PubChem CID3261367
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name1-(3-methylbutyl)piperidine-4-carboxamide
SMILESCC(C)CCN1CCC(C(N)=O)CC1
InChIInChI=1S/C11H22N2O/c1-9(2)3-6-13-7-4-10(5-8-13)11(12)14/h9-10H,3-8H2,1-2H3,(H2,12,14)
InChIKeyYCTSBMOHEVMKLG-UHFFFAOYSA-N
XLogP1.23
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutyl)piperidine-4-carboxamide?
The IUPAC name of 1-(3-methylbutyl)piperidine-4-carboxamide (CID 3261367) is 1-(3-methylbutyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(3-methylbutyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(3-methylbutyl)piperidine-4-carboxamide is CC(C)CCN1CCC(C(N)=O)CC1.
What is the InChIKey of 1-(3-methylbutyl)piperidine-4-carboxamide?
The InChIKey is YCTSBMOHEVMKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-9(2)3-6-13-7-4-10(5-8-13)11(12)14/h9-10H,3-8H2,1-2H3,(H2,12,14).
What are the key properties of 1-(3-methylbutyl)piperidine-4-carboxamide?
1-(3-methylbutyl)piperidine-4-carboxamide has a molecular weight of 198.31 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutyl)piperidine-4-carboxamide is sourced from PubChem (CID 3261367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).