methyl 1-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]piperidine-4-carboxylate

C19H30N4O2 — CID 15518524

IUPACmethyl 1-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(CCCN2CCN(c3ccccn3)CC2)CC1
InChIInChI=1S/C19H30N4O2/c1-25-19(24)17-6-11-21(12-7-17)9-4-10-22-13-15-23(16-14-22)18-5-2-3-8-20-18/h2-3,5,8,17H,4,6-7,9-16H2,1H3
InChIKeyPOEPYOMRJBTZRC-UHFFFAOYSA-N
MW346.47 g/mol
LogP1.48
Rot. Bonds6

About methyl 1-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]piperidine-4-carboxylate

methyl 1-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]piperidine-4-carboxylate (PubChem CID 15518524) has the molecular formula C19H30N4O2 and a molecular weight of 346.47 g/mol. Its IUPAC name is methyl 1-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]piperidine-4-carboxylate
PubChem CID15518524
Molecular FormulaC19H30N4O2
Molecular Weight346.47 g/mol
Exact Mass346.24
IUPAC Namemethyl 1-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(CCCN2CCN(c3ccccn3)CC2)CC1
InChIInChI=1S/C19H30N4O2/c1-25-19(24)17-6-11-21(12-7-17)9-4-10-22-13-15-23(16-14-22)18-5-2-3-8-20-18/h2-3,5,8,17H,4,6-7,9-16H2,1H3
InChIKeyPOEPYOMRJBTZRC-UHFFFAOYSA-N
XLogP1.48
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]piperidine-4-carboxylate (CID 15518524) is methyl 1-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]piperidine-4-carboxylate is COC(=O)C1CCN(CCCN2CCN(c3ccccn3)CC2)CC1.
What is the InChIKey of methyl 1-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]piperidine-4-carboxylate?
The InChIKey is POEPYOMRJBTZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-25-19(24)17-6-11-21(12-7-17)9-4-10-22-13-15-23(16-14-22)18-5-2-3-8-20-18/h2-3,5,8,17H,4,6-7,9-16H2,1H3.
What are the key properties of methyl 1-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]piperidine-4-carboxylate?
methyl 1-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]piperidine-4-carboxylate has a molecular weight of 346.47 g/mol, XLogP of 1.48, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]piperidine-4-carboxylate is sourced from PubChem (CID 15518524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).