2-methyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]propanamide

C13H26N2O — CID 16895472

IUPAC2-methyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]propanamide
SMILESCC(C)C(=O)NCC1CCN(C(C)C)CC1
InChIInChI=1S/C13H26N2O/c1-10(2)13(16)14-9-12-5-7-15(8-6-12)11(3)4/h10-12H,5-9H2,1-4H3,(H,14,16)
InChIKeyYFFDZIROJQBCAE-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.88
Rot. Bonds4

About 2-methyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]propanamide

2-methyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]propanamide (PubChem CID 16895472) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-methyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]propanamide
PubChem CID16895472
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name2-methyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]propanamide
SMILESCC(C)C(=O)NCC1CCN(C(C)C)CC1
InChIInChI=1S/C13H26N2O/c1-10(2)13(16)14-9-12-5-7-15(8-6-12)11(3)4/h10-12H,5-9H2,1-4H3,(H,14,16)
InChIKeyYFFDZIROJQBCAE-UHFFFAOYSA-N
XLogP1.88
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 ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]propanamide?
The IUPAC name of 2-methyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]propanamide (CID 16895472) is 2-methyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]propanamide.
What is the SMILES notation for 2-methyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]propanamide?
The canonical SMILES for 2-methyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]propanamide is CC(C)C(=O)NCC1CCN(C(C)C)CC1.
What is the InChIKey of 2-methyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]propanamide?
The InChIKey is YFFDZIROJQBCAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-10(2)13(16)14-9-12-5-7-15(8-6-12)11(3)4/h10-12H,5-9H2,1-4H3,(H,14,16).
What are the key properties of 2-methyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]propanamide?
2-methyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]propanamide has a molecular weight of 226.36 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]propanamide is sourced from PubChem (CID 16895472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).