6-[4-(2-phenylacetyl)piperazin-1-yl]pyridine-3-carboxylic acid

C18H19N3O3 — CID 83971614

IUPAC6-[4-(2-phenylacetyl)piperazin-1-yl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(N2CCN(C(=O)Cc3ccccc3)CC2)nc1
InChIInChI=1S/C18H19N3O3/c22-17(12-14-4-2-1-3-5-14)21-10-8-20(9-11-21)16-7-6-15(13-19-16)18(23)24/h1-7,13H,8-12H2,(H,23,24)
InChIKeyDAKMIXXBOSCUDC-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.67
Rot. Bonds4

About 6-[4-(2-phenylacetyl)piperazin-1-yl]pyridine-3-carboxylic acid

6-[4-(2-phenylacetyl)piperazin-1-yl]pyridine-3-carboxylic acid (PubChem CID 83971614) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 6-[4-(2-phenylacetyl)piperazin-1-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[4-(2-phenylacetyl)piperazin-1-yl]pyridine-3-carboxylic acid
PubChem CID83971614
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name6-[4-(2-phenylacetyl)piperazin-1-yl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(N2CCN(C(=O)Cc3ccccc3)CC2)nc1
InChIInChI=1S/C18H19N3O3/c22-17(12-14-4-2-1-3-5-14)21-10-8-20(9-11-21)16-7-6-15(13-19-16)18(23)24/h1-7,13H,8-12H2,(H,23,24)
InChIKeyDAKMIXXBOSCUDC-UHFFFAOYSA-N
XLogP1.67
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[4-[2-(2,6-difluorophenyl)acetyl]piperazin-1-yl]pyridine-3-carboxylic acid
CID 167796774
6-[4-(2-phenoxyacetyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 83971618
6-(4-butanoylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 83967770
6-(4-phenylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 23432931
6-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 83967781
6-(4-formylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 82116544
ethyl 6-[4-(2-naphthalen-2-ylacetyl)piperazin-1-yl]pyridine-3-carboxylate
CID 38783852
N-[6-[4-(2-phenylacetyl)-1,4-diazepan-1-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide
CID 46053254
3-methoxy-N-[6-[4-(2-phenylacetyl)piperazin-1-yl]-3-pyridinyl]benzamide
CID 46053043
6-piperidin-1-ylpyridine-3-carboxylic acid
CID 2794761
6-[4-(4-bromobenzoyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 83971605
6-[4-(4-methylbenzoyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 83971599

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-phenylacetyl)piperazin-1-yl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[4-(2-phenylacetyl)piperazin-1-yl]pyridine-3-carboxylic acid (CID 83971614) is 6-[4-(2-phenylacetyl)piperazin-1-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[4-(2-phenylacetyl)piperazin-1-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[4-(2-phenylacetyl)piperazin-1-yl]pyridine-3-carboxylic acid is O=C(O)c1ccc(N2CCN(C(=O)Cc3ccccc3)CC2)nc1.
What is the InChIKey of 6-[4-(2-phenylacetyl)piperazin-1-yl]pyridine-3-carboxylic acid?
The InChIKey is DAKMIXXBOSCUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c22-17(12-14-4-2-1-3-5-14)21-10-8-20(9-11-21)16-7-6-15(13-19-16)18(23)24/h1-7,13H,8-12H2,(H,23,24).
What are the key properties of 6-[4-(2-phenylacetyl)piperazin-1-yl]pyridine-3-carboxylic acid?
6-[4-(2-phenylacetyl)piperazin-1-yl]pyridine-3-carboxylic acid has a molecular weight of 325.37 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-phenylacetyl)piperazin-1-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 83971614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).