ethyl 6-(4-pyrazol-1-ylpiperidin-1-yl)pyridine-3-carboxylate

C16H20N4O2 — CID 133277944

IUPACethyl 6-(4-pyrazol-1-ylpiperidin-1-yl)pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(N2CCC(n3cccn3)CC2)nc1
InChIInChI=1S/C16H20N4O2/c1-2-22-16(21)13-4-5-15(17-12-13)19-10-6-14(7-11-19)20-9-3-8-18-20/h3-5,8-9,12,14H,2,6-7,10-11H2,1H3
InChIKeyNCRXGBWHDBZFKS-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.30
Rot. Bonds4

About ethyl 6-(4-pyrazol-1-ylpiperidin-1-yl)pyridine-3-carboxylate

ethyl 6-(4-pyrazol-1-ylpiperidin-1-yl)pyridine-3-carboxylate (PubChem CID 133277944) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is ethyl 6-(4-pyrazol-1-ylpiperidin-1-yl)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-(4-pyrazol-1-ylpiperidin-1-yl)pyridine-3-carboxylate
PubChem CID133277944
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Nameethyl 6-(4-pyrazol-1-ylpiperidin-1-yl)pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(N2CCC(n3cccn3)CC2)nc1
InChIInChI=1S/C16H20N4O2/c1-2-22-16(21)13-4-5-15(17-12-13)19-10-6-14(7-11-19)20-9-3-8-18-20/h3-5,8-9,12,14H,2,6-7,10-11H2,1H3
InChIKeyNCRXGBWHDBZFKS-UHFFFAOYSA-N
XLogP2.30
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(5-ethoxycarbonyl-2-pyridinyl)piperidin-4-yl]acetic acid
CID 79610114
ethyl 6-[4-(5-ethoxycarbonyl-2-pyridinyl)-1,4-diazepan-1-yl]pyridine-3-carboxylate
CID 32800544
ethyl 6-[3-(hydroxymethyl)pyrrolidin-1-yl]pyridine-3-carboxylate
CID 62371889
ethyl 6-[4-(4-carbamoylphenyl)piperazin-1-yl]pyridine-3-carboxylate
CID 133307554
ethyl 6-[4-[[(3R)-1-methylpyrrolidin-3-yl]carbamoylamino]piperidin-1-yl]pyridine-3-carboxylate
CID 59785799
ethyl 6-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyridine-3-carboxylate
CID 115657940
ethyl 6-[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]pyridine-3-carboxylate
CID 39820595
ethyl 6-[4-(4-methylbenzoyl)piperazin-1-yl]pyridine-3-carboxylate
CID 38783932
5-[4-(4-ethoxycarbonylpyrazol-1-yl)piperidin-1-yl]pyrazine-2-carboxylic acid
CID 122057831
ethyl 6-[4-[1-(2,2-dimethylpropanoyl)piperidine-4-carbonyl]piperazin-1-yl]pyridine-3-carboxylate
CID 38784345
ethyl 6-[(3S)-3-(methanesulfonamido)piperidin-1-yl]pyridine-3-carboxylate
CID 36834270
ethyl 1-(5-acetyl-2-pyridinyl)piperidine-4-carboxylate
CID 66656004

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(4-pyrazol-1-ylpiperidin-1-yl)pyridine-3-carboxylate?
The IUPAC name of ethyl 6-(4-pyrazol-1-ylpiperidin-1-yl)pyridine-3-carboxylate (CID 133277944) is ethyl 6-(4-pyrazol-1-ylpiperidin-1-yl)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-(4-pyrazol-1-ylpiperidin-1-yl)pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-(4-pyrazol-1-ylpiperidin-1-yl)pyridine-3-carboxylate is CCOC(=O)c1ccc(N2CCC(n3cccn3)CC2)nc1.
What is the InChIKey of ethyl 6-(4-pyrazol-1-ylpiperidin-1-yl)pyridine-3-carboxylate?
The InChIKey is NCRXGBWHDBZFKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-2-22-16(21)13-4-5-15(17-12-13)19-10-6-14(7-11-19)20-9-3-8-18-20/h3-5,8-9,12,14H,2,6-7,10-11H2,1H3.
What are the key properties of ethyl 6-(4-pyrazol-1-ylpiperidin-1-yl)pyridine-3-carboxylate?
ethyl 6-(4-pyrazol-1-ylpiperidin-1-yl)pyridine-3-carboxylate has a molecular weight of 300.36 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(4-pyrazol-1-ylpiperidin-1-yl)pyridine-3-carboxylate is sourced from PubChem (CID 133277944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).