ethyl 4-[1-(2-methylpyrazol-3-yl)propylamino]piperidine-1-carboxylate

C15H26N4O2 — CID 50969048

IUPACethyl 4-[1-(2-methylpyrazol-3-yl)propylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(CC)c2ccnn2C)CC1
InChIInChI=1S/C15H26N4O2/c1-4-13(14-6-9-16-18(14)3)17-12-7-10-19(11-8-12)15(20)21-5-2/h6,9,12-13,17H,4-5,7-8,10-11H2,1-3H3
InChIKeyGAKPQYPJQTWSHO-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.08
Rot. Bonds5

About ethyl 4-[1-(2-methylpyrazol-3-yl)propylamino]piperidine-1-carboxylate

ethyl 4-[1-(2-methylpyrazol-3-yl)propylamino]piperidine-1-carboxylate (PubChem CID 50969048) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is ethyl 4-[1-(2-methylpyrazol-3-yl)propylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[1-(2-methylpyrazol-3-yl)propylamino]piperidine-1-carboxylate
PubChem CID50969048
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Nameethyl 4-[1-(2-methylpyrazol-3-yl)propylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(CC)c2ccnn2C)CC1
InChIInChI=1S/C15H26N4O2/c1-4-13(14-6-9-16-18(14)3)17-12-7-10-19(11-8-12)15(20)21-5-2/h6,9,12-13,17H,4-5,7-8,10-11H2,1-3H3
InChIKeyGAKPQYPJQTWSHO-UHFFFAOYSA-N
XLogP2.08
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[1-(2-methylpyrazol-3-yl)propylamino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[1-(2-methylpyrazol-3-yl)propylamino]piperidine-1-carboxylate (CID 50969048) is ethyl 4-[1-(2-methylpyrazol-3-yl)propylamino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[1-(2-methylpyrazol-3-yl)propylamino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[1-(2-methylpyrazol-3-yl)propylamino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(CC)c2ccnn2C)CC1.
What is the InChIKey of ethyl 4-[1-(2-methylpyrazol-3-yl)propylamino]piperidine-1-carboxylate?
The InChIKey is GAKPQYPJQTWSHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-4-13(14-6-9-16-18(14)3)17-12-7-10-19(11-8-12)15(20)21-5-2/h6,9,12-13,17H,4-5,7-8,10-11H2,1-3H3.
What are the key properties of ethyl 4-[1-(2-methylpyrazol-3-yl)propylamino]piperidine-1-carboxylate?
ethyl 4-[1-(2-methylpyrazol-3-yl)propylamino]piperidine-1-carboxylate has a molecular weight of 294.40 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[1-(2-methylpyrazol-3-yl)propylamino]piperidine-1-carboxylate is sourced from PubChem (CID 50969048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).