ethyl 2-[3-chloro-6-(4-piperidin-1-ylbutanoylamino)pyrazin-2-yl]acetate

C17H25ClN4O3 — CID 58812536

IUPACethyl 2-[3-chloro-6-(4-piperidin-1-ylbutanoylamino)pyrazin-2-yl]acetate
SMILESCCOC(=O)Cc1nc(NC(=O)CCCN2CCCCC2)cnc1Cl
InChIInChI=1S/C17H25ClN4O3/c1-2-25-16(24)11-13-17(18)19-12-14(20-13)21-15(23)7-6-10-22-8-4-3-5-9-22/h12H,2-11H2,1H3,(H,20,21,23)
InChIKeyMYMNPTMWQHAWOM-UHFFFAOYSA-N
MW368.87 g/mol
LogP2.44
Rot. Bonds8

About ethyl 2-[3-chloro-6-(4-piperidin-1-ylbutanoylamino)pyrazin-2-yl]acetate

ethyl 2-[3-chloro-6-(4-piperidin-1-ylbutanoylamino)pyrazin-2-yl]acetate (PubChem CID 58812536) has the molecular formula C17H25ClN4O3 and a molecular weight of 368.87 g/mol. Its IUPAC name is ethyl 2-[3-chloro-6-(4-piperidin-1-ylbutanoylamino)pyrazin-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-chloro-6-(4-piperidin-1-ylbutanoylamino)pyrazin-2-yl]acetate
PubChem CID58812536
Molecular FormulaC17H25ClN4O3
Molecular Weight368.87 g/mol
Exact Mass368.16
IUPAC Nameethyl 2-[3-chloro-6-(4-piperidin-1-ylbutanoylamino)pyrazin-2-yl]acetate
SMILESCCOC(=O)Cc1nc(NC(=O)CCCN2CCCCC2)cnc1Cl
InChIInChI=1S/C17H25ClN4O3/c1-2-25-16(24)11-13-17(18)19-12-14(20-13)21-15(23)7-6-10-22-8-4-3-5-9-22/h12H,2-11H2,1H3,(H,20,21,23)
InChIKeyMYMNPTMWQHAWOM-UHFFFAOYSA-N
XLogP2.44
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.87
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[2-(3-pyrrolidin-1-ylpropanoylamino)-1,3-thiazol-4-yl]acetate
CID 101012113
ethyl 4-piperidin-1-ylbutanoate
CID 14044356
ethyl 2-[4-(3-pyrrolidin-1-ylpropanoylamino)triazol-2-yl]acetate
CID 112535446
N-(1-chloroisoquinolin-7-yl)-4-piperidin-1-ylbutanamide
CID 169148179
N-[5-(3-chloro-2-methylphenyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide
CID 59173854
N-[5-(5-chloro-2-methylphenyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide
CID 59173771
4-(azepan-1-yl)-N-(2,4,6-trimethylphenyl)butanamide
CID 3078502
N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide
CID 25029711
N-(2-chloro-6-methylphenyl)-4-pyrrolidin-1-ylbutanamide;hydrochloride
CID 24836116
ethyl 5-(azetidin-1-yl)pentanoate
CID 166535323
diethyl 2-(3-piperidin-1-ylpropyl)butanedioate
CID 90300751
N-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide
CID 59173824

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-chloro-6-(4-piperidin-1-ylbutanoylamino)pyrazin-2-yl]acetate?
The IUPAC name of ethyl 2-[3-chloro-6-(4-piperidin-1-ylbutanoylamino)pyrazin-2-yl]acetate (CID 58812536) is ethyl 2-[3-chloro-6-(4-piperidin-1-ylbutanoylamino)pyrazin-2-yl]acetate.
What is the SMILES notation for ethyl 2-[3-chloro-6-(4-piperidin-1-ylbutanoylamino)pyrazin-2-yl]acetate?
The canonical SMILES for ethyl 2-[3-chloro-6-(4-piperidin-1-ylbutanoylamino)pyrazin-2-yl]acetate is CCOC(=O)Cc1nc(NC(=O)CCCN2CCCCC2)cnc1Cl.
What is the InChIKey of ethyl 2-[3-chloro-6-(4-piperidin-1-ylbutanoylamino)pyrazin-2-yl]acetate?
The InChIKey is MYMNPTMWQHAWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN4O3/c1-2-25-16(24)11-13-17(18)19-12-14(20-13)21-15(23)7-6-10-22-8-4-3-5-9-22/h12H,2-11H2,1H3,(H,20,21,23).
What are the key properties of ethyl 2-[3-chloro-6-(4-piperidin-1-ylbutanoylamino)pyrazin-2-yl]acetate?
ethyl 2-[3-chloro-6-(4-piperidin-1-ylbutanoylamino)pyrazin-2-yl]acetate has a molecular weight of 368.87 g/mol, XLogP of 2.44, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-chloro-6-(4-piperidin-1-ylbutanoylamino)pyrazin-2-yl]acetate is sourced from PubChem (CID 58812536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).