N-(1-benzylpiperidin-4-yl)-2-pyridin-3-ylacetamide

C19H23N3O — CID 11012319

IUPACN-(1-benzylpiperidin-4-yl)-2-pyridin-3-ylacetamide
SMILESO=C(Cc1cccnc1)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H23N3O/c23-19(13-17-7-4-10-20-14-17)21-18-8-11-22(12-9-18)15-16-5-2-1-3-6-16/h1-7,10,14,18H,8-9,11-13,15H2,(H,21,23)
InChIKeyOHANRWHPIQTXPV-UHFFFAOYSA-N
MW309.41 g/mol
LogP2.40
Rot. Bonds5

About N-(1-benzylpiperidin-4-yl)-2-pyridin-3-ylacetamide

N-(1-benzylpiperidin-4-yl)-2-pyridin-3-ylacetamide (PubChem CID 11012319) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2-pyridin-3-ylacetamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2-pyridin-3-ylacetamide
PubChem CID11012319
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC NameN-(1-benzylpiperidin-4-yl)-2-pyridin-3-ylacetamide
SMILESO=C(Cc1cccnc1)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H23N3O/c23-19(13-17-7-4-10-20-14-17)21-18-8-11-22(12-9-18)15-16-5-2-1-3-6-16/h1-7,10,14,18H,8-9,11-13,15H2,(H,21,23)
InChIKeyOHANRWHPIQTXPV-UHFFFAOYSA-N
XLogP2.40
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-2-pyridin-3-ylacetamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2-pyridin-3-ylacetamide (CID 11012319) is N-(1-benzylpiperidin-4-yl)-2-pyridin-3-ylacetamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2-pyridin-3-ylacetamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2-pyridin-3-ylacetamide is O=C(Cc1cccnc1)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2-pyridin-3-ylacetamide?
The InChIKey is OHANRWHPIQTXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c23-19(13-17-7-4-10-20-14-17)21-18-8-11-22(12-9-18)15-16-5-2-1-3-6-16/h1-7,10,14,18H,8-9,11-13,15H2,(H,21,23).
What are the key properties of N-(1-benzylpiperidin-4-yl)-2-pyridin-3-ylacetamide?
N-(1-benzylpiperidin-4-yl)-2-pyridin-3-ylacetamide has a molecular weight of 309.41 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-2-pyridin-3-ylacetamide is sourced from PubChem (CID 11012319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).