N-[2-(4-benzylpiperidin-1-yl)ethyl]-N-pyridin-2-ylpropanamide

C22H29N3O — CID 156782594

IUPACN-[2-(4-benzylpiperidin-1-yl)ethyl]-N-pyridin-2-ylpropanamide
SMILESCCC(=O)N(CCN1CCC(Cc2ccccc2)CC1)c1ccccn1
InChIInChI=1S/C22H29N3O/c1-2-22(26)25(21-10-6-7-13-23-21)17-16-24-14-11-20(12-15-24)18-19-8-4-3-5-9-19/h3-10,13,20H,2,11-12,14-18H2,1H3
InChIKeyFFVGWQAHUAORDC-UHFFFAOYSA-N
MW351.49 g/mol
LogP3.78
Rot. Bonds7

About N-[2-(4-benzylpiperidin-1-yl)ethyl]-N-pyridin-2-ylpropanamide

N-[2-(4-benzylpiperidin-1-yl)ethyl]-N-pyridin-2-ylpropanamide (PubChem CID 156782594) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is N-[2-(4-benzylpiperidin-1-yl)ethyl]-N-pyridin-2-ylpropanamide.

Molecular Properties

Compound NameN-[2-(4-benzylpiperidin-1-yl)ethyl]-N-pyridin-2-ylpropanamide
PubChem CID156782594
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC NameN-[2-(4-benzylpiperidin-1-yl)ethyl]-N-pyridin-2-ylpropanamide
SMILESCCC(=O)N(CCN1CCC(Cc2ccccc2)CC1)c1ccccn1
InChIInChI=1S/C22H29N3O/c1-2-22(26)25(21-10-6-7-13-23-21)17-16-24-14-11-20(12-15-24)18-19-8-4-3-5-9-19/h3-10,13,20H,2,11-12,14-18H2,1H3
InChIKeyFFVGWQAHUAORDC-UHFFFAOYSA-N
XLogP3.78
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzylpiperidin-1-yl)ethyl]-N-pyridin-2-ylpropanamide?
The IUPAC name of N-[2-(4-benzylpiperidin-1-yl)ethyl]-N-pyridin-2-ylpropanamide (CID 156782594) is N-[2-(4-benzylpiperidin-1-yl)ethyl]-N-pyridin-2-ylpropanamide.
What is the SMILES notation for N-[2-(4-benzylpiperidin-1-yl)ethyl]-N-pyridin-2-ylpropanamide?
The canonical SMILES for N-[2-(4-benzylpiperidin-1-yl)ethyl]-N-pyridin-2-ylpropanamide is CCC(=O)N(CCN1CCC(Cc2ccccc2)CC1)c1ccccn1.
What is the InChIKey of N-[2-(4-benzylpiperidin-1-yl)ethyl]-N-pyridin-2-ylpropanamide?
The InChIKey is FFVGWQAHUAORDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O/c1-2-22(26)25(21-10-6-7-13-23-21)17-16-24-14-11-20(12-15-24)18-19-8-4-3-5-9-19/h3-10,13,20H,2,11-12,14-18H2,1H3.
What are the key properties of N-[2-(4-benzylpiperidin-1-yl)ethyl]-N-pyridin-2-ylpropanamide?
N-[2-(4-benzylpiperidin-1-yl)ethyl]-N-pyridin-2-ylpropanamide has a molecular weight of 351.49 g/mol, XLogP of 3.78, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzylpiperidin-1-yl)ethyl]-N-pyridin-2-ylpropanamide is sourced from PubChem (CID 156782594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).