N-[2-(1-benzylpiperidin-4-yl)ethyl]pyridine-3-carboxamide

C20H25N3O — CID 14783882

IUPACN-[2-(1-benzylpiperidin-4-yl)ethyl]pyridine-3-carboxamide
SMILESO=C(NCCC1CCN(Cc2ccccc2)CC1)c1cccnc1
InChIInChI=1S/C20H25N3O/c24-20(19-7-4-11-21-15-19)22-12-8-17-9-13-23(14-10-17)16-18-5-2-1-3-6-18/h1-7,11,15,17H,8-10,12-14,16H2,(H,22,24)
InChIKeyIOOIMSPQBSMDHC-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.11
Rot. Bonds6

About N-[2-(1-benzylpiperidin-4-yl)ethyl]pyridine-3-carboxamide

N-[2-(1-benzylpiperidin-4-yl)ethyl]pyridine-3-carboxamide (PubChem CID 14783882) 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-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1-benzylpiperidin-4-yl)ethyl]pyridine-3-carboxamide
PubChem CID14783882
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC NameN-[2-(1-benzylpiperidin-4-yl)ethyl]pyridine-3-carboxamide
SMILESO=C(NCCC1CCN(Cc2ccccc2)CC1)c1cccnc1
InChIInChI=1S/C20H25N3O/c24-20(19-7-4-11-21-15-19)22-12-8-17-9-13-23(14-10-17)16-18-5-2-1-3-6-18/h1-7,11,15,17H,8-10,12-14,16H2,(H,22,24)
InChIKeyIOOIMSPQBSMDHC-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-3-carboxamide?
The IUPAC name of N-[2-(1-benzylpiperidin-4-yl)ethyl]pyridine-3-carboxamide (CID 14783882) is N-[2-(1-benzylpiperidin-4-yl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(1-benzylpiperidin-4-yl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(1-benzylpiperidin-4-yl)ethyl]pyridine-3-carboxamide is O=C(NCCC1CCN(Cc2ccccc2)CC1)c1cccnc1.
What is the InChIKey of N-[2-(1-benzylpiperidin-4-yl)ethyl]pyridine-3-carboxamide?
The InChIKey is IOOIMSPQBSMDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c24-20(19-7-4-11-21-15-19)22-12-8-17-9-13-23(14-10-17)16-18-5-2-1-3-6-18/h1-7,11,15,17H,8-10,12-14,16H2,(H,22,24).
What are the key properties of N-[2-(1-benzylpiperidin-4-yl)ethyl]pyridine-3-carboxamide?
N-[2-(1-benzylpiperidin-4-yl)ethyl]pyridine-3-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-3-carboxamide is sourced from PubChem (CID 14783882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).