2-ethyl-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-4-carboxylic acid

C17H25N3O4 — CID 169299170

IUPAC2-ethyl-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-4-carboxylic acid
SMILESCCc1cc(C(=O)O)cc(N2CCN(C(=O)OC(C)(C)C)CC2)n1
InChIInChI=1S/C17H25N3O4/c1-5-13-10-12(15(21)22)11-14(18-13)19-6-8-20(9-7-19)16(23)24-17(2,3)4/h10-11H,5-9H2,1-4H3,(H,21,22)
InChIKeyVXZIZKDCJCTMIR-UHFFFAOYSA-N
MW335.40 g/mol
LogP2.40
Rot. Bonds3

About 2-ethyl-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-4-carboxylic acid

2-ethyl-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-4-carboxylic acid (PubChem CID 169299170) has the molecular formula C17H25N3O4 and a molecular weight of 335.40 g/mol. Its IUPAC name is 2-ethyl-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-4-carboxylic acid
PubChem CID169299170
Molecular FormulaC17H25N3O4
Molecular Weight335.40 g/mol
Exact Mass335.18
IUPAC Name2-ethyl-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-4-carboxylic acid
SMILESCCc1cc(C(=O)O)cc(N2CCN(C(=O)OC(C)(C)C)CC2)n1
InChIInChI=1S/C17H25N3O4/c1-5-13-10-12(15(21)22)11-14(18-13)19-6-8-20(9-7-19)16(23)24-17(2,3)4/h10-11H,5-9H2,1-4H3,(H,21,22)
InChIKeyVXZIZKDCJCTMIR-UHFFFAOYSA-N
XLogP2.40
TPSA82.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-(6-ethylpyrimidin-4-yl)piperazine-1-carboxylate
CID 86690166
tert-butyl 4-(4,5,6-triethyl-2-pyridinyl)piperazine-1-carboxylate
CID 168992441
tert-butyl 4-(6-chloro-4-methoxycarbonyl-2-pyridinyl)piperazine-1-carboxylate
CID 58229586
tert-butyl 4-(6-bromo-2-ethylpyrimidin-4-yl)-1,4-diazepane-1-carboxylate
CID 104933625
tert-butyl 4-[6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-pyridinyl]piperazine-1-carboxylate
CID 66693151
tert-butyl 4-(3-cyano-6-ethyl-2-pyridinyl)piperazine-1-carboxylate
CID 167443704
tert-butyl 4-(5,6-dimethylpyridazin-3-yl)piperazine-1-carboxylate;ethane
CID 143735501
tert-butyl 4-(2-chloro-6-pyrrolidin-1-ylpyrimidin-4-yl)-1,4-diazepane-1-carboxylate
CID 166460288
tert-butyl 4-(6-pentan-3-ylpyrimidin-4-yl)piperazine-1-carboxylate
CID 126849691
tert-butyl 4-[4-(aminomethyl)-6-methyl-2-pyridinyl]-1,4-diazepane-1-carboxylate
CID 104969562
tert-butyl 4-(6-chloropyrazin-2-yl)piperazine-1-carboxylate;2,6-dichloropyrazine
CID 87578550
2-ethyl-6-(3-ethylpiperidin-1-yl)pyridine-4-carboxylic acid
CID 113380150

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-ethyl-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-4-carboxylic acid (CID 169299170) is 2-ethyl-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-ethyl-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-ethyl-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-4-carboxylic acid is CCc1cc(C(=O)O)cc(N2CCN(C(=O)OC(C)(C)C)CC2)n1.
What is the InChIKey of 2-ethyl-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-4-carboxylic acid?
The InChIKey is VXZIZKDCJCTMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4/c1-5-13-10-12(15(21)22)11-14(18-13)19-6-8-20(9-7-19)16(23)24-17(2,3)4/h10-11H,5-9H2,1-4H3,(H,21,22).
What are the key properties of 2-ethyl-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-4-carboxylic acid?
2-ethyl-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-4-carboxylic acid has a molecular weight of 335.40 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 169299170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).