2-[3-ethyl-1-(pyridine-3-carbonyl)piperidin-4-yl]-N-naphthalen-1-ylacetamide

C25H27N3O2 — CID 74736422

IUPAC2-[3-ethyl-1-(pyridine-3-carbonyl)piperidin-4-yl]-N-naphthalen-1-ylacetamide
SMILESCCC1CN(C(=O)c2cccnc2)CCC1CC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C25H27N3O2/c1-2-18-17-28(25(30)21-9-6-13-26-16-21)14-12-20(18)15-24(29)27-23-11-5-8-19-7-3-4-10-22(19)23/h3-11,13,16,18,20H,2,12,14-15,17H2,1H3,(H,27,29)
InChIKeyZCXRLSAKPOBVRF-UHFFFAOYSA-N
MW401.51 g/mol
LogP4.75
Rot. Bonds5

About 2-[3-ethyl-1-(pyridine-3-carbonyl)piperidin-4-yl]-N-naphthalen-1-ylacetamide

2-[3-ethyl-1-(pyridine-3-carbonyl)piperidin-4-yl]-N-naphthalen-1-ylacetamide (PubChem CID 74736422) has the molecular formula C25H27N3O2 and a molecular weight of 401.51 g/mol. Its IUPAC name is 2-[3-ethyl-1-(pyridine-3-carbonyl)piperidin-4-yl]-N-naphthalen-1-ylacetamide.

Molecular Properties

Compound Name2-[3-ethyl-1-(pyridine-3-carbonyl)piperidin-4-yl]-N-naphthalen-1-ylacetamide
PubChem CID74736422
Molecular FormulaC25H27N3O2
Molecular Weight401.51 g/mol
Exact Mass401.21
IUPAC Name2-[3-ethyl-1-(pyridine-3-carbonyl)piperidin-4-yl]-N-naphthalen-1-ylacetamide
SMILESCCC1CN(C(=O)c2cccnc2)CCC1CC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C25H27N3O2/c1-2-18-17-28(25(30)21-9-6-13-26-16-21)14-12-20(18)15-24(29)27-23-11-5-8-19-7-3-4-10-22(19)23/h3-11,13,16,18,20H,2,12,14-15,17H2,1H3,(H,27,29)
InChIKeyZCXRLSAKPOBVRF-UHFFFAOYSA-N
XLogP4.75
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-ethyl-1-(pyridine-3-carbonyl)piperidin-4-yl]-N-naphthalen-1-ylacetamide?
The IUPAC name of 2-[3-ethyl-1-(pyridine-3-carbonyl)piperidin-4-yl]-N-naphthalen-1-ylacetamide (CID 74736422) is 2-[3-ethyl-1-(pyridine-3-carbonyl)piperidin-4-yl]-N-naphthalen-1-ylacetamide.
What is the SMILES notation for 2-[3-ethyl-1-(pyridine-3-carbonyl)piperidin-4-yl]-N-naphthalen-1-ylacetamide?
The canonical SMILES for 2-[3-ethyl-1-(pyridine-3-carbonyl)piperidin-4-yl]-N-naphthalen-1-ylacetamide is CCC1CN(C(=O)c2cccnc2)CCC1CC(=O)Nc1cccc2ccccc12.
What is the InChIKey of 2-[3-ethyl-1-(pyridine-3-carbonyl)piperidin-4-yl]-N-naphthalen-1-ylacetamide?
The InChIKey is ZCXRLSAKPOBVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O2/c1-2-18-17-28(25(30)21-9-6-13-26-16-21)14-12-20(18)15-24(29)27-23-11-5-8-19-7-3-4-10-22(19)23/h3-11,13,16,18,20H,2,12,14-15,17H2,1H3,(H,27,29).
What are the key properties of 2-[3-ethyl-1-(pyridine-3-carbonyl)piperidin-4-yl]-N-naphthalen-1-ylacetamide?
2-[3-ethyl-1-(pyridine-3-carbonyl)piperidin-4-yl]-N-naphthalen-1-ylacetamide has a molecular weight of 401.51 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-ethyl-1-(pyridine-3-carbonyl)piperidin-4-yl]-N-naphthalen-1-ylacetamide is sourced from PubChem (CID 74736422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).