2-[3-[2-[1-(cyclopropylmethyl)piperidin-2-yl]ethylamino]-6-methyl-2-oxopyrazin-1-yl]ethyl acetate

C20H32N4O3 — CID 58869674

IUPAC2-[3-[2-[1-(cyclopropylmethyl)piperidin-2-yl]ethylamino]-6-methyl-2-oxopyrazin-1-yl]ethyl acetate
SMILESCC(=O)OCCn1c(C)cnc(NCCC2CCCCN2CC2CC2)c1=O
InChIInChI=1S/C20H32N4O3/c1-15-13-22-19(20(26)24(15)11-12-27-16(2)25)21-9-8-18-5-3-4-10-23(18)14-17-6-7-17/h13,17-18H,3-12,14H2,1-2H3,(H,21,22)
InChIKeyVCFCZKQYTYBVCB-UHFFFAOYSA-N
MW376.50 g/mol
LogP2.18
Rot. Bonds9

About 2-[3-[2-[1-(cyclopropylmethyl)piperidin-2-yl]ethylamino]-6-methyl-2-oxopyrazin-1-yl]ethyl acetate

2-[3-[2-[1-(cyclopropylmethyl)piperidin-2-yl]ethylamino]-6-methyl-2-oxopyrazin-1-yl]ethyl acetate (PubChem CID 58869674) has the molecular formula C20H32N4O3 and a molecular weight of 376.50 g/mol. Its IUPAC name is 2-[3-[2-[1-(cyclopropylmethyl)piperidin-2-yl]ethylamino]-6-methyl-2-oxopyrazin-1-yl]ethyl acetate.

Molecular Properties

Compound Name2-[3-[2-[1-(cyclopropylmethyl)piperidin-2-yl]ethylamino]-6-methyl-2-oxopyrazin-1-yl]ethyl acetate
PubChem CID58869674
Molecular FormulaC20H32N4O3
Molecular Weight376.50 g/mol
Exact Mass376.25
IUPAC Name2-[3-[2-[1-(cyclopropylmethyl)piperidin-2-yl]ethylamino]-6-methyl-2-oxopyrazin-1-yl]ethyl acetate
SMILESCC(=O)OCCn1c(C)cnc(NCCC2CCCCN2CC2CC2)c1=O
InChIInChI=1S/C20H32N4O3/c1-15-13-22-19(20(26)24(15)11-12-27-16(2)25)21-9-8-18-5-3-4-10-23(18)14-17-6-7-17/h13,17-18H,3-12,14H2,1-2H3,(H,21,22)
InChIKeyVCFCZKQYTYBVCB-UHFFFAOYSA-N
XLogP2.18
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-[1-(cyclopropylmethyl)piperidin-2-yl]ethylamino]-6-methyl-2-oxopyrazin-1-yl]ethyl acetate?
The IUPAC name of 2-[3-[2-[1-(cyclopropylmethyl)piperidin-2-yl]ethylamino]-6-methyl-2-oxopyrazin-1-yl]ethyl acetate (CID 58869674) is 2-[3-[2-[1-(cyclopropylmethyl)piperidin-2-yl]ethylamino]-6-methyl-2-oxopyrazin-1-yl]ethyl acetate.
What is the SMILES notation for 2-[3-[2-[1-(cyclopropylmethyl)piperidin-2-yl]ethylamino]-6-methyl-2-oxopyrazin-1-yl]ethyl acetate?
The canonical SMILES for 2-[3-[2-[1-(cyclopropylmethyl)piperidin-2-yl]ethylamino]-6-methyl-2-oxopyrazin-1-yl]ethyl acetate is CC(=O)OCCn1c(C)cnc(NCCC2CCCCN2CC2CC2)c1=O.
What is the InChIKey of 2-[3-[2-[1-(cyclopropylmethyl)piperidin-2-yl]ethylamino]-6-methyl-2-oxopyrazin-1-yl]ethyl acetate?
The InChIKey is VCFCZKQYTYBVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O3/c1-15-13-22-19(20(26)24(15)11-12-27-16(2)25)21-9-8-18-5-3-4-10-23(18)14-17-6-7-17/h13,17-18H,3-12,14H2,1-2H3,(H,21,22).
What are the key properties of 2-[3-[2-[1-(cyclopropylmethyl)piperidin-2-yl]ethylamino]-6-methyl-2-oxopyrazin-1-yl]ethyl acetate?
2-[3-[2-[1-(cyclopropylmethyl)piperidin-2-yl]ethylamino]-6-methyl-2-oxopyrazin-1-yl]ethyl acetate has a molecular weight of 376.50 g/mol, XLogP of 2.18, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-[1-(cyclopropylmethyl)piperidin-2-yl]ethylamino]-6-methyl-2-oxopyrazin-1-yl]ethyl acetate is sourced from PubChem (CID 58869674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).