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

C15H26N4O2 — CID 50970753

IUPACethyl 4-[3-(4-methylpyrazol-1-yl)propylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NCCCn2cc(C)cn2)CC1
InChIInChI=1S/C15H26N4O2/c1-3-21-15(20)18-9-5-14(6-10-18)16-7-4-8-19-12-13(2)11-17-19/h11-12,14,16H,3-10H2,1-2H3
InChIKeyBRCIPPCKCYBOOQ-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.79
Rot. Bonds6

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

ethyl 4-[3-(4-methylpyrazol-1-yl)propylamino]piperidine-1-carboxylate (PubChem CID 50970753) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is ethyl 4-[3-(4-methylpyrazol-1-yl)propylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[3-(4-methylpyrazol-1-yl)propylamino]piperidine-1-carboxylate
PubChem CID50970753
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Nameethyl 4-[3-(4-methylpyrazol-1-yl)propylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NCCCn2cc(C)cn2)CC1
InChIInChI=1S/C15H26N4O2/c1-3-21-15(20)18-9-5-14(6-10-18)16-7-4-8-19-12-13(2)11-17-19/h11-12,14,16H,3-10H2,1-2H3
InChIKeyBRCIPPCKCYBOOQ-UHFFFAOYSA-N
XLogP1.79
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-(4-methylpyrazol-1-yl)propylamino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[3-(4-methylpyrazol-1-yl)propylamino]piperidine-1-carboxylate (CID 50970753) is ethyl 4-[3-(4-methylpyrazol-1-yl)propylamino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[3-(4-methylpyrazol-1-yl)propylamino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[3-(4-methylpyrazol-1-yl)propylamino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NCCCn2cc(C)cn2)CC1.
What is the InChIKey of ethyl 4-[3-(4-methylpyrazol-1-yl)propylamino]piperidine-1-carboxylate?
The InChIKey is BRCIPPCKCYBOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-3-21-15(20)18-9-5-14(6-10-18)16-7-4-8-19-12-13(2)11-17-19/h11-12,14,16H,3-10H2,1-2H3.
What are the key properties of ethyl 4-[3-(4-methylpyrazol-1-yl)propylamino]piperidine-1-carboxylate?
ethyl 4-[3-(4-methylpyrazol-1-yl)propylamino]piperidine-1-carboxylate has a molecular weight of 294.40 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-(4-methylpyrazol-1-yl)propylamino]piperidine-1-carboxylate is sourced from PubChem (CID 50970753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).