methyl 2-(3-piperazin-1-ylpropyl)pyridine-3-carboxylate

C14H21N3O2 — CID 141006469

IUPACmethyl 2-(3-piperazin-1-ylpropyl)pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1CCCN1CCNCC1
InChIInChI=1S/C14H21N3O2/c1-19-14(18)12-4-2-6-16-13(12)5-3-9-17-10-7-15-8-11-17/h2,4,6,15H,3,5,7-11H2,1H3
InChIKeyNOXOUXWQZVZDFQ-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.71
Rot. Bonds5

About methyl 2-(3-piperazin-1-ylpropyl)pyridine-3-carboxylate

methyl 2-(3-piperazin-1-ylpropyl)pyridine-3-carboxylate (PubChem CID 141006469) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is methyl 2-(3-piperazin-1-ylpropyl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(3-piperazin-1-ylpropyl)pyridine-3-carboxylate
PubChem CID141006469
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Namemethyl 2-(3-piperazin-1-ylpropyl)pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1CCCN1CCNCC1
InChIInChI=1S/C14H21N3O2/c1-19-14(18)12-4-2-6-16-13(12)5-3-9-17-10-7-15-8-11-17/h2,4,6,15H,3,5,7-11H2,1H3
InChIKeyNOXOUXWQZVZDFQ-UHFFFAOYSA-N
XLogP0.71
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-N-(3-piperazin-1-ylpropyl)pyridine-3-carboxamide
CID 62874313
methyl 2-[(4-ethylpiperazin-1-yl)methyl]pyridine-3-carboxylate
CID 114198428
methyl 2-[(1-oxo-1,4-thiazinan-4-yl)methyl]pyridine-3-carboxylate
CID 114198478
methyl 2-(2-cyanoethyl)pyridine-3-carboxylate
CID 146567740
methyl 2-(piperazin-1-ylmethyl)benzoate
CID 44829012
N-(3-piperazin-1-ylpropyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 119394322
methyl 2-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]pyridine-3-carboxylate
CID 114198822
2-[12-(4-hydroxypiperidin-1-yl)dodecyl]pyridine-3-carboxamide
CID 178064385
1-(3-pyridin-3-ylpropyl)piperazine;trihydrochloride
CID 86694323
methyl 2-(4-methylpiperazin-1-yl)pyridine-3-carboxylate
CID 18536303
2-(4-piperazin-1-ylbutyl)benzoic acid
CID 83954010
1-(2-methoxyphenyl)-3-piperazin-1-ylpropan-1-one
CID 82064831

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-piperazin-1-ylpropyl)pyridine-3-carboxylate?
The IUPAC name of methyl 2-(3-piperazin-1-ylpropyl)pyridine-3-carboxylate (CID 141006469) is methyl 2-(3-piperazin-1-ylpropyl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-(3-piperazin-1-ylpropyl)pyridine-3-carboxylate?
The canonical SMILES for methyl 2-(3-piperazin-1-ylpropyl)pyridine-3-carboxylate is COC(=O)c1cccnc1CCCN1CCNCC1.
What is the InChIKey of methyl 2-(3-piperazin-1-ylpropyl)pyridine-3-carboxylate?
The InChIKey is NOXOUXWQZVZDFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-19-14(18)12-4-2-6-16-13(12)5-3-9-17-10-7-15-8-11-17/h2,4,6,15H,3,5,7-11H2,1H3.
What are the key properties of methyl 2-(3-piperazin-1-ylpropyl)pyridine-3-carboxylate?
methyl 2-(3-piperazin-1-ylpropyl)pyridine-3-carboxylate has a molecular weight of 263.34 g/mol, XLogP of 0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-piperazin-1-ylpropyl)pyridine-3-carboxylate is sourced from PubChem (CID 141006469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).