N-[2-(1-benzylpiperidin-4-yl)ethyl]pyridine-2-carboxamide

C20H25N3O — CID 14783879

IUPACN-[2-(1-benzylpiperidin-4-yl)ethyl]pyridine-2-carboxamide
SMILESO=C(NCCC1CCN(Cc2ccccc2)CC1)c1ccccn1
InChIInChI=1S/C20H25N3O/c24-20(19-8-4-5-12-21-19)22-13-9-17-10-14-23(15-11-17)16-18-6-2-1-3-7-18/h1-8,12,17H,9-11,13-16H2,(H,22,24)
InChIKeyPYZZBLJGHARYSL-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.11
Rot. Bonds6

About N-[2-(1-benzylpiperidin-4-yl)ethyl]pyridine-2-carboxamide

N-[2-(1-benzylpiperidin-4-yl)ethyl]pyridine-2-carboxamide (PubChem CID 14783879) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is N-[2-(1-benzylpiperidin-4-yl)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1-benzylpiperidin-4-yl)ethyl]pyridine-2-carboxamide
PubChem CID14783879
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC NameN-[2-(1-benzylpiperidin-4-yl)ethyl]pyridine-2-carboxamide
SMILESO=C(NCCC1CCN(Cc2ccccc2)CC1)c1ccccn1
InChIInChI=1S/C20H25N3O/c24-20(19-8-4-5-12-21-19)22-13-9-17-10-14-23(15-11-17)16-18-6-2-1-3-7-18/h1-8,12,17H,9-11,13-16H2,(H,22,24)
InChIKeyPYZZBLJGHARYSL-UHFFFAOYSA-N
XLogP3.11
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzylpiperidin-4-yl)ethyl]pyridine-2-carboxamide?
The IUPAC name of N-[2-(1-benzylpiperidin-4-yl)ethyl]pyridine-2-carboxamide (CID 14783879) is N-[2-(1-benzylpiperidin-4-yl)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(1-benzylpiperidin-4-yl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for N-[2-(1-benzylpiperidin-4-yl)ethyl]pyridine-2-carboxamide is O=C(NCCC1CCN(Cc2ccccc2)CC1)c1ccccn1.
What is the InChIKey of N-[2-(1-benzylpiperidin-4-yl)ethyl]pyridine-2-carboxamide?
The InChIKey is PYZZBLJGHARYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c24-20(19-8-4-5-12-21-19)22-13-9-17-10-14-23(15-11-17)16-18-6-2-1-3-7-18/h1-8,12,17H,9-11,13-16H2,(H,22,24).
What are the key properties of N-[2-(1-benzylpiperidin-4-yl)ethyl]pyridine-2-carboxamide?
N-[2-(1-benzylpiperidin-4-yl)ethyl]pyridine-2-carboxamide has a molecular weight of 323.44 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzylpiperidin-4-yl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 14783879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).