ethyl 4-[(5-methylpyrazin-2-yl)methylamino]piperidine-1-carboxylate

C14H22N4O2 — CID 62847535

IUPACethyl 4-[(5-methylpyrazin-2-yl)methylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NCc2cnc(C)cn2)CC1
InChIInChI=1S/C14H22N4O2/c1-3-20-14(19)18-6-4-12(5-7-18)17-10-13-9-15-11(2)8-16-13/h8-9,12,17H,3-7,10H2,1-2H3
InChIKeyCOLFZGYCMLEFGG-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.50
Rot. Bonds4

About ethyl 4-[(5-methylpyrazin-2-yl)methylamino]piperidine-1-carboxylate

ethyl 4-[(5-methylpyrazin-2-yl)methylamino]piperidine-1-carboxylate (PubChem CID 62847535) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is ethyl 4-[(5-methylpyrazin-2-yl)methylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(5-methylpyrazin-2-yl)methylamino]piperidine-1-carboxylate
PubChem CID62847535
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Nameethyl 4-[(5-methylpyrazin-2-yl)methylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NCc2cnc(C)cn2)CC1
InChIInChI=1S/C14H22N4O2/c1-3-20-14(19)18-6-4-12(5-7-18)17-10-13-9-15-11(2)8-16-13/h8-9,12,17H,3-7,10H2,1-2H3
InChIKeyCOLFZGYCMLEFGG-UHFFFAOYSA-N
XLogP1.50
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[(5-methylpyrazin-2-yl)methylamino]piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dimethyl-4-[(5-methylpyrazin-2-yl)methylamino]piperidine-1-carboxamide
CID 83261720
ethyl 4-(1H-1,2,4-triazol-5-ylmethylamino)piperidine-1-carboxylate
CID 54884832
ethyl 4-[(1-methyl-1,2,4-triazol-3-yl)methylamino]piperidine-1-carboxylate
CID 103884572
ethyl 4-[(2,6-dimethylphenyl)methylamino]piperidine-1-carboxylate
CID 81318643
ethyl 4-[(4-methoxyphenyl)methylamino]piperidine-1-carboxylate
CID 2846531
ethyl 4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]piperidine-1-carboxylate
CID 60972700
ethyl N-[(5-methylpyrazin-2-yl)methyl]carbamate
CID 64592018
2-methylpropyl 4-[(2-methyl-1,3-thiazol-5-yl)methylamino]piperidine-1-carboxylate
CID 86778928
ethyl 4-(2-hydroxypropylamino)piperidine-1-carboxylate
CID 43776223
4-tert-butyl-N-[(5-methylpyrazin-2-yl)methyl]cyclohexan-1-amine
CID 62845689
ethyl 4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]piperidine-1-carboxylate
CID 28586107
tert-butyl (3S)-3-[(5-amino-2-pyridinyl)methylamino]pyrrolidine-1-carboxylate
CID 66738148

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(5-methylpyrazin-2-yl)methylamino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(5-methylpyrazin-2-yl)methylamino]piperidine-1-carboxylate (CID 62847535) is ethyl 4-[(5-methylpyrazin-2-yl)methylamino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(5-methylpyrazin-2-yl)methylamino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(5-methylpyrazin-2-yl)methylamino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NCc2cnc(C)cn2)CC1.
What is the InChIKey of ethyl 4-[(5-methylpyrazin-2-yl)methylamino]piperidine-1-carboxylate?
The InChIKey is COLFZGYCMLEFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-3-20-14(19)18-6-4-12(5-7-18)17-10-13-9-15-11(2)8-16-13/h8-9,12,17H,3-7,10H2,1-2H3.
What are the key properties of ethyl 4-[(5-methylpyrazin-2-yl)methylamino]piperidine-1-carboxylate?
ethyl 4-[(5-methylpyrazin-2-yl)methylamino]piperidine-1-carboxylate has a molecular weight of 278.36 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(5-methylpyrazin-2-yl)methylamino]piperidine-1-carboxylate is sourced from PubChem (CID 62847535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).