N-(piperidin-1-ylmethyl)propanamide

C9H18N2O — CID 126685893

IUPACN-(piperidin-1-ylmethyl)propanamide
SMILESCCC(=O)NCN1CCCCC1
InChIInChI=1S/C9H18N2O/c1-2-9(12)10-8-11-6-4-3-5-7-11/h2-8H2,1H3,(H,10,12)
InChIKeyVBWDZZPUSUEYKO-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.96
Rot. Bonds3

About N-(piperidin-1-ylmethyl)propanamide

N-(piperidin-1-ylmethyl)propanamide (PubChem CID 126685893) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is N-(piperidin-1-ylmethyl)propanamide.

Molecular Properties

Compound NameN-(piperidin-1-ylmethyl)propanamide
PubChem CID126685893
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC NameN-(piperidin-1-ylmethyl)propanamide
SMILESCCC(=O)NCN1CCCCC1
InChIInChI=1S/C9H18N2O/c1-2-9(12)10-8-11-6-4-3-5-7-11/h2-8H2,1H3,(H,10,12)
InChIKeyVBWDZZPUSUEYKO-UHFFFAOYSA-N
XLogP0.96
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(piperidin-1-ylmethyl)propanamide?
The IUPAC name of N-(piperidin-1-ylmethyl)propanamide (CID 126685893) is N-(piperidin-1-ylmethyl)propanamide.
What is the SMILES notation for N-(piperidin-1-ylmethyl)propanamide?
The canonical SMILES for N-(piperidin-1-ylmethyl)propanamide is CCC(=O)NCN1CCCCC1.
What is the InChIKey of N-(piperidin-1-ylmethyl)propanamide?
The InChIKey is VBWDZZPUSUEYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-2-9(12)10-8-11-6-4-3-5-7-11/h2-8H2,1H3,(H,10,12).
What are the key properties of N-(piperidin-1-ylmethyl)propanamide?
N-(piperidin-1-ylmethyl)propanamide has a molecular weight of 170.26 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-1-ylmethyl)propanamide is sourced from PubChem (CID 126685893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).