N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-methylpropanamide

C15H28N2O — CID 16895652

IUPACN-[(1-cyclopentylpiperidin-4-yl)methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCC1CCN(C2CCCC2)CC1
InChIInChI=1S/C15H28N2O/c1-12(2)15(18)16-11-13-7-9-17(10-8-13)14-5-3-4-6-14/h12-14H,3-11H2,1-2H3,(H,16,18)
InChIKeyWCSZNAIYCVAYAH-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.41
Rot. Bonds4

About N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-methylpropanamide

N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-methylpropanamide (PubChem CID 16895652) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(1-cyclopentylpiperidin-4-yl)methyl]-2-methylpropanamide
PubChem CID16895652
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC NameN-[(1-cyclopentylpiperidin-4-yl)methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCC1CCN(C2CCCC2)CC1
InChIInChI=1S/C15H28N2O/c1-12(2)15(18)16-11-13-7-9-17(10-8-13)14-5-3-4-6-14/h12-14H,3-11H2,1-2H3,(H,16,18)
InChIKeyWCSZNAIYCVAYAH-UHFFFAOYSA-N
XLogP2.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-methylpropanamide?
The IUPAC name of N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-methylpropanamide (CID 16895652) is N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-methylpropanamide.
What is the SMILES notation for N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-methylpropanamide?
The canonical SMILES for N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-methylpropanamide is CC(C)C(=O)NCC1CCN(C2CCCC2)CC1.
What is the InChIKey of N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-methylpropanamide?
The InChIKey is WCSZNAIYCVAYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-12(2)15(18)16-11-13-7-9-17(10-8-13)14-5-3-4-6-14/h12-14H,3-11H2,1-2H3,(H,16,18).
What are the key properties of N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-methylpropanamide?
N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-methylpropanamide has a molecular weight of 252.40 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-methylpropanamide is sourced from PubChem (CID 16895652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).