propan-2-yl 2-[3-(1H-pyrazol-4-yl)piperidin-1-yl]pyridine-3-carboxylate

C17H22N4O2 — CID 75478041

IUPACpropan-2-yl 2-[3-(1H-pyrazol-4-yl)piperidin-1-yl]pyridine-3-carboxylate
SMILESCC(C)OC(=O)c1cccnc1N1CCCC(c2cn[nH]c2)C1
InChIInChI=1S/C17H22N4O2/c1-12(2)23-17(22)15-6-3-7-18-16(15)21-8-4-5-13(11-21)14-9-19-20-10-14/h3,6-7,9-10,12-13H,4-5,8,11H2,1-2H3,(H,19,20)
InChIKeyVMXOTDCOHXNTNE-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.75
Rot. Bonds4

About propan-2-yl 2-[3-(1H-pyrazol-4-yl)piperidin-1-yl]pyridine-3-carboxylate

propan-2-yl 2-[3-(1H-pyrazol-4-yl)piperidin-1-yl]pyridine-3-carboxylate (PubChem CID 75478041) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is propan-2-yl 2-[3-(1H-pyrazol-4-yl)piperidin-1-yl]pyridine-3-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 2-[3-(1H-pyrazol-4-yl)piperidin-1-yl]pyridine-3-carboxylate
PubChem CID75478041
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Namepropan-2-yl 2-[3-(1H-pyrazol-4-yl)piperidin-1-yl]pyridine-3-carboxylate
SMILESCC(C)OC(=O)c1cccnc1N1CCCC(c2cn[nH]c2)C1
InChIInChI=1S/C17H22N4O2/c1-12(2)23-17(22)15-6-3-7-18-16(15)21-8-4-5-13(11-21)14-9-19-20-10-14/h3,6-7,9-10,12-13H,4-5,8,11H2,1-2H3,(H,19,20)
InChIKeyVMXOTDCOHXNTNE-UHFFFAOYSA-N
XLogP2.75
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

propan-2-yl 2-[3-(acetamidomethyl)piperidin-1-yl]pyridine-3-carboxylate
CID 133468919
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CID 133471654
propan-2-yl 2-(2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl)pyridine-3-carboxylate
CID 75522944
propan-2-yl 2-[(3S)-3-[(4-ethylphenyl)methylamino]pyrrolidin-1-yl]pyridine-3-carboxylate
CID 67323448
propan-2-yl 2-(2-azabicyclo[2.2.1]heptan-2-yl)pyridine-3-carboxylate
CID 133468417
(3aS,6aR)-2-(3-propan-2-yloxycarbonyl-2-pyridinyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122063217
propan-2-yl 2-[4-[(4-fluorophenyl)carbamoyl]piperidin-1-yl]pyridine-3-carboxylate
CID 133469687
propan-2-yl 2-[(3S,4R)-3-imidazol-1-yl-4-methylpiperidin-1-yl]pyridine-3-carboxylate
CID 98892031
propan-2-yl 2-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]pyridine-3-carboxylate
CID 133468602
propan-2-yl 2-[3-[(5-ethylthiophen-2-yl)methyl-methylarsanyl]pyrrolidin-1-yl]pyridine-3-carboxylate
CID 87376536
propan-2-yl 2-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]pyridine-3-carboxylate
CID 133471016
ethyl 2-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyridine-3-carboxylate
CID 97351945

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[3-(1H-pyrazol-4-yl)piperidin-1-yl]pyridine-3-carboxylate?
The IUPAC name of propan-2-yl 2-[3-(1H-pyrazol-4-yl)piperidin-1-yl]pyridine-3-carboxylate (CID 75478041) is propan-2-yl 2-[3-(1H-pyrazol-4-yl)piperidin-1-yl]pyridine-3-carboxylate.
What is the SMILES notation for propan-2-yl 2-[3-(1H-pyrazol-4-yl)piperidin-1-yl]pyridine-3-carboxylate?
The canonical SMILES for propan-2-yl 2-[3-(1H-pyrazol-4-yl)piperidin-1-yl]pyridine-3-carboxylate is CC(C)OC(=O)c1cccnc1N1CCCC(c2cn[nH]c2)C1.
What is the InChIKey of propan-2-yl 2-[3-(1H-pyrazol-4-yl)piperidin-1-yl]pyridine-3-carboxylate?
The InChIKey is VMXOTDCOHXNTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-12(2)23-17(22)15-6-3-7-18-16(15)21-8-4-5-13(11-21)14-9-19-20-10-14/h3,6-7,9-10,12-13H,4-5,8,11H2,1-2H3,(H,19,20).
What are the key properties of propan-2-yl 2-[3-(1H-pyrazol-4-yl)piperidin-1-yl]pyridine-3-carboxylate?
propan-2-yl 2-[3-(1H-pyrazol-4-yl)piperidin-1-yl]pyridine-3-carboxylate has a molecular weight of 314.39 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[3-(1H-pyrazol-4-yl)piperidin-1-yl]pyridine-3-carboxylate is sourced from PubChem (CID 75478041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).