3-methyl-N-(1-propan-2-ylpiperidin-4-yl)butanamide

C13H26N2O — CID 25236581

IUPAC3-methyl-N-(1-propan-2-ylpiperidin-4-yl)butanamide
SMILESCC(C)CC(=O)NC1CCN(C(C)C)CC1
InChIInChI=1S/C13H26N2O/c1-10(2)9-13(16)14-12-5-7-15(8-6-12)11(3)4/h10-12H,5-9H2,1-4H3,(H,14,16)
InChIKeyVZVDEMGMTNWLMW-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.02
Rot. Bonds4

About 3-methyl-N-(1-propan-2-ylpiperidin-4-yl)butanamide

3-methyl-N-(1-propan-2-ylpiperidin-4-yl)butanamide (PubChem CID 25236581) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 3-methyl-N-(1-propan-2-ylpiperidin-4-yl)butanamide.

Molecular Properties

Compound Name3-methyl-N-(1-propan-2-ylpiperidin-4-yl)butanamide
PubChem CID25236581
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name3-methyl-N-(1-propan-2-ylpiperidin-4-yl)butanamide
SMILESCC(C)CC(=O)NC1CCN(C(C)C)CC1
InChIInChI=1S/C13H26N2O/c1-10(2)9-13(16)14-12-5-7-15(8-6-12)11(3)4/h10-12H,5-9H2,1-4H3,(H,14,16)
InChIKeyVZVDEMGMTNWLMW-UHFFFAOYSA-N
XLogP2.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(1-propan-2-ylpiperidin-4-yl)butanamide?
The IUPAC name of 3-methyl-N-(1-propan-2-ylpiperidin-4-yl)butanamide (CID 25236581) is 3-methyl-N-(1-propan-2-ylpiperidin-4-yl)butanamide.
What is the SMILES notation for 3-methyl-N-(1-propan-2-ylpiperidin-4-yl)butanamide?
The canonical SMILES for 3-methyl-N-(1-propan-2-ylpiperidin-4-yl)butanamide is CC(C)CC(=O)NC1CCN(C(C)C)CC1.
What is the InChIKey of 3-methyl-N-(1-propan-2-ylpiperidin-4-yl)butanamide?
The InChIKey is VZVDEMGMTNWLMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-10(2)9-13(16)14-12-5-7-15(8-6-12)11(3)4/h10-12H,5-9H2,1-4H3,(H,14,16).
What are the key properties of 3-methyl-N-(1-propan-2-ylpiperidin-4-yl)butanamide?
3-methyl-N-(1-propan-2-ylpiperidin-4-yl)butanamide has a molecular weight of 226.36 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(1-propan-2-ylpiperidin-4-yl)butanamide is sourced from PubChem (CID 25236581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).