ethyl 6-[4-(2-naphthalen-2-ylacetyl)piperazin-1-yl]pyridine-3-carboxylate

C24H25N3O3 — CID 38783852

IUPACethyl 6-[4-(2-naphthalen-2-ylacetyl)piperazin-1-yl]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(N2CCN(C(=O)Cc3ccc4ccccc4c3)CC2)nc1
InChIInChI=1S/C24H25N3O3/c1-2-30-24(29)21-9-10-22(25-17-21)26-11-13-27(14-12-26)23(28)16-18-7-8-19-5-3-4-6-20(19)15-18/h3-10,15,17H,2,11-14,16H2,1H3
InChIKeyYPEUYWKWNUKFLD-UHFFFAOYSA-N
MW403.48 g/mol
LogP3.30
Rot. Bonds5

About ethyl 6-[4-(2-naphthalen-2-ylacetyl)piperazin-1-yl]pyridine-3-carboxylate

ethyl 6-[4-(2-naphthalen-2-ylacetyl)piperazin-1-yl]pyridine-3-carboxylate (PubChem CID 38783852) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is ethyl 6-[4-(2-naphthalen-2-ylacetyl)piperazin-1-yl]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-[4-(2-naphthalen-2-ylacetyl)piperazin-1-yl]pyridine-3-carboxylate
PubChem CID38783852
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC Nameethyl 6-[4-(2-naphthalen-2-ylacetyl)piperazin-1-yl]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(N2CCN(C(=O)Cc3ccc4ccccc4c3)CC2)nc1
InChIInChI=1S/C24H25N3O3/c1-2-30-24(29)21-9-10-22(25-17-21)26-11-13-27(14-12-26)23(28)16-18-7-8-19-5-3-4-6-20(19)15-18/h3-10,15,17H,2,11-14,16H2,1H3
InChIKeyYPEUYWKWNUKFLD-UHFFFAOYSA-N
XLogP3.30
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[4-(2-naphthalen-2-ylacetyl)piperazin-1-yl]-N-pentan-2-ylpyridine-3-carboxamide
CID 68738298
ethyl 6-[4-(5-ethoxycarbonyl-2-pyridinyl)-1,4-diazepan-1-yl]pyridine-3-carboxylate
CID 32800544
ethyl 6-[4-[2-(pyridin-2-ylmethylsulfanyl)acetyl]piperazin-1-yl]pyridine-3-carboxylate
CID 55940489
ethyl 6-[4-(4-methylbenzoyl)piperazin-1-yl]pyridine-3-carboxylate
CID 38783932
ethyl 6-(4-benzoyl-1,4-diazepan-1-yl)pyridine-3-carboxylate
CID 36730820
6-[4-(2-phenylacetyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 83971614
1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-2-naphthalen-2-ylethanone
CID 77089008
ethyl 6-[4-[2-(2-methylbutanoylamino)acetyl]piperazin-1-yl]pyridine-3-carboxylate
CID 55940492
ethyl 6-[4-[2-(4-methylpyrazol-1-yl)acetyl]piperazin-1-yl]pyridine-3-carboxylate
CID 47078380
ethyl 6-[4-(2-phenoxy-2-phenylacetyl)piperazin-1-yl]pyridine-3-carboxylate
CID 55911339
ethyl 6-[4-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetyl]piperazin-1-yl]pyridine-3-carboxylate
CID 55599600
1-(4-acetylpiperazin-1-yl)-2-naphthalen-2-ylethanone
CID 51161828

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[4-(2-naphthalen-2-ylacetyl)piperazin-1-yl]pyridine-3-carboxylate?
The IUPAC name of ethyl 6-[4-(2-naphthalen-2-ylacetyl)piperazin-1-yl]pyridine-3-carboxylate (CID 38783852) is ethyl 6-[4-(2-naphthalen-2-ylacetyl)piperazin-1-yl]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-[4-(2-naphthalen-2-ylacetyl)piperazin-1-yl]pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-[4-(2-naphthalen-2-ylacetyl)piperazin-1-yl]pyridine-3-carboxylate is CCOC(=O)c1ccc(N2CCN(C(=O)Cc3ccc4ccccc4c3)CC2)nc1.
What is the InChIKey of ethyl 6-[4-(2-naphthalen-2-ylacetyl)piperazin-1-yl]pyridine-3-carboxylate?
The InChIKey is YPEUYWKWNUKFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-2-30-24(29)21-9-10-22(25-17-21)26-11-13-27(14-12-26)23(28)16-18-7-8-19-5-3-4-6-20(19)15-18/h3-10,15,17H,2,11-14,16H2,1H3.
What are the key properties of ethyl 6-[4-(2-naphthalen-2-ylacetyl)piperazin-1-yl]pyridine-3-carboxylate?
ethyl 6-[4-(2-naphthalen-2-ylacetyl)piperazin-1-yl]pyridine-3-carboxylate has a molecular weight of 403.48 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[4-(2-naphthalen-2-ylacetyl)piperazin-1-yl]pyridine-3-carboxylate is sourced from PubChem (CID 38783852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).