ethyl 4-[[5-(3-methoxypropylcarbamoyl)pyrazin-2-yl]amino]piperidine-1-carboxylate

C17H27N5O4 — CID 109276069

IUPACethyl 4-[[5-(3-methoxypropylcarbamoyl)pyrazin-2-yl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2cnc(C(=O)NCCCOC)cn2)CC1
InChIInChI=1S/C17H27N5O4/c1-3-26-17(24)22-8-5-13(6-9-22)21-15-12-19-14(11-20-15)16(23)18-7-4-10-25-2/h11-13H,3-10H2,1-2H3,(H,18,23)(H,20,21)
InChIKeyPMZUGRMTIQMLBB-UHFFFAOYSA-N
MW365.43 g/mol
LogP1.28
Rot. Bonds8

About ethyl 4-[[5-(3-methoxypropylcarbamoyl)pyrazin-2-yl]amino]piperidine-1-carboxylate

ethyl 4-[[5-(3-methoxypropylcarbamoyl)pyrazin-2-yl]amino]piperidine-1-carboxylate (PubChem CID 109276069) has the molecular formula C17H27N5O4 and a molecular weight of 365.43 g/mol. Its IUPAC name is ethyl 4-[[5-(3-methoxypropylcarbamoyl)pyrazin-2-yl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[5-(3-methoxypropylcarbamoyl)pyrazin-2-yl]amino]piperidine-1-carboxylate
PubChem CID109276069
Molecular FormulaC17H27N5O4
Molecular Weight365.43 g/mol
Exact Mass365.21
IUPAC Nameethyl 4-[[5-(3-methoxypropylcarbamoyl)pyrazin-2-yl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2cnc(C(=O)NCCCOC)cn2)CC1
InChIInChI=1S/C17H27N5O4/c1-3-26-17(24)22-8-5-13(6-9-22)21-15-12-19-14(11-20-15)16(23)18-7-4-10-25-2/h11-13H,3-10H2,1-2H3,(H,18,23)(H,20,21)
InChIKeyPMZUGRMTIQMLBB-UHFFFAOYSA-N
XLogP1.28
TPSA105.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[[5-[(2-fluorophenyl)carbamoyl]pyrazin-2-yl]amino]piperidine-1-carboxylate
CID 109286246
ethyl 4-[[5-[(2-ethylphenyl)carbamoyl]pyrazin-2-yl]amino]piperidine-1-carboxylate
CID 109286243
ethyl 4-[[6-[3-(dimethylamino)propylcarbamoyl]pyridazin-3-yl]amino]piperidine-1-carboxylate
CID 109115992
5-(cyclopropylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyrazine-2-carboxamide
CID 109271821
ethyl 4-[[5-(1-phenylethylamino)pyrazine-2-carbonyl]amino]piperidine-1-carboxylate
CID 109280917
5-(cyclohexylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyrazine-2-carboxamide
CID 109274881
6-(cyclohexylamino)-N-(3-methoxypropyl)-2-methylpyrimidine-4-carboxamide
CID 109363776
ethyl 4-[[5-(2-methoxyethylamino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate
CID 109184058
ethyl 4-[(5-pyrrolidin-1-ylpyrazine-2-carbonyl)amino]piperidine-1-carboxylate
CID 109273745
ethyl 4-[[4-(propylcarbamoyl)-2-pyridinyl]amino]piperidine-1-carboxylate
CID 109165045
ethyl 4-[[5-(2-methoxyethylamino)-1,2,4-triazin-3-yl]amino]piperidine-1-carboxylate
CID 112943340
methyl 5-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]pyrazine-2-carboxylate
CID 168758594

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[5-(3-methoxypropylcarbamoyl)pyrazin-2-yl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[5-(3-methoxypropylcarbamoyl)pyrazin-2-yl]amino]piperidine-1-carboxylate (CID 109276069) is ethyl 4-[[5-(3-methoxypropylcarbamoyl)pyrazin-2-yl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[5-(3-methoxypropylcarbamoyl)pyrazin-2-yl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[5-(3-methoxypropylcarbamoyl)pyrazin-2-yl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(Nc2cnc(C(=O)NCCCOC)cn2)CC1.
What is the InChIKey of ethyl 4-[[5-(3-methoxypropylcarbamoyl)pyrazin-2-yl]amino]piperidine-1-carboxylate?
The InChIKey is PMZUGRMTIQMLBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O4/c1-3-26-17(24)22-8-5-13(6-9-22)21-15-12-19-14(11-20-15)16(23)18-7-4-10-25-2/h11-13H,3-10H2,1-2H3,(H,18,23)(H,20,21).
What are the key properties of ethyl 4-[[5-(3-methoxypropylcarbamoyl)pyrazin-2-yl]amino]piperidine-1-carboxylate?
ethyl 4-[[5-(3-methoxypropylcarbamoyl)pyrazin-2-yl]amino]piperidine-1-carboxylate has a molecular weight of 365.43 g/mol, XLogP of 1.28, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[5-(3-methoxypropylcarbamoyl)pyrazin-2-yl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 109276069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).