(2-amino-2-oxoethyl) 4-(1-pyrazin-2-ylpiperidin-4-yl)butanoate

C15H22N4O3 — CID 58032790

IUPAC(2-amino-2-oxoethyl) 4-(1-pyrazin-2-ylpiperidin-4-yl)butanoate
SMILESNC(=O)COC(=O)CCCC1CCN(c2cnccn2)CC1
InChIInChI=1S/C15H22N4O3/c16-13(20)11-22-15(21)3-1-2-12-4-8-19(9-5-12)14-10-17-6-7-18-14/h6-7,10,12H,1-5,8-9,11H2,(H2,16,20)
InChIKeySFANQJGJKYIDCW-UHFFFAOYSA-N
MW306.37 g/mol
LogP0.89
Rot. Bonds7

About (2-amino-2-oxoethyl) 4-(1-pyrazin-2-ylpiperidin-4-yl)butanoate

(2-amino-2-oxoethyl) 4-(1-pyrazin-2-ylpiperidin-4-yl)butanoate (PubChem CID 58032790) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is (2-amino-2-oxoethyl) 4-(1-pyrazin-2-ylpiperidin-4-yl)butanoate.

Molecular Properties

Compound Name(2-amino-2-oxoethyl) 4-(1-pyrazin-2-ylpiperidin-4-yl)butanoate
PubChem CID58032790
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Name(2-amino-2-oxoethyl) 4-(1-pyrazin-2-ylpiperidin-4-yl)butanoate
SMILESNC(=O)COC(=O)CCCC1CCN(c2cnccn2)CC1
InChIInChI=1S/C15H22N4O3/c16-13(20)11-22-15(21)3-1-2-12-4-8-19(9-5-12)14-10-17-6-7-18-14/h6-7,10,12H,1-5,8-9,11H2,(H2,16,20)
InChIKeySFANQJGJKYIDCW-UHFFFAOYSA-N
XLogP0.89
TPSA98.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2-amino-2-oxoethyl) 4-[1-(6-bromo-2-pyridinyl)piperidin-4-yl]butanoate
CID 58032757
(2-amino-2-oxoethyl) 4-(1-quinolin-3-ylpiperidin-4-yl)butanoate
CID 58032803
3-cyclopentyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]propanamide
CID 121109042
(2-amino-2-oxoethyl) 3-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]propanoate
CID 58032759
(1-pyrazin-2-ylpiperidin-4-yl)methanamine;dihydrochloride
CID 56965638
(2-amino-2-oxoethyl) 4-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]butanoate
CID 58032679
(2-amino-2-oxoethyl) 3-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]propanoate
CID 58032791
2-(1-pyrazin-2-ylpiperidin-4-yl)acetic acid;2,2,2-trifluoroacetic acid
CID 66879709
tert-butyl N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]carbamate
CID 56965637
(2-amino-2-oxoethyl) 3-[1-(6-phenylpyridazin-3-yl)piperidin-4-yl]propanoate
CID 58032724
[2-(methylamino)-2-oxoethyl] 4-(1-isoquinolin-3-ylpiperidin-4-yl)butanoate
CID 58032707
1-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]pyrazole-4-carboxamide
CID 95816974

Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxoethyl) 4-(1-pyrazin-2-ylpiperidin-4-yl)butanoate?
The IUPAC name of (2-amino-2-oxoethyl) 4-(1-pyrazin-2-ylpiperidin-4-yl)butanoate (CID 58032790) is (2-amino-2-oxoethyl) 4-(1-pyrazin-2-ylpiperidin-4-yl)butanoate.
What is the SMILES notation for (2-amino-2-oxoethyl) 4-(1-pyrazin-2-ylpiperidin-4-yl)butanoate?
The canonical SMILES for (2-amino-2-oxoethyl) 4-(1-pyrazin-2-ylpiperidin-4-yl)butanoate is NC(=O)COC(=O)CCCC1CCN(c2cnccn2)CC1.
What is the InChIKey of (2-amino-2-oxoethyl) 4-(1-pyrazin-2-ylpiperidin-4-yl)butanoate?
The InChIKey is SFANQJGJKYIDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3/c16-13(20)11-22-15(21)3-1-2-12-4-8-19(9-5-12)14-10-17-6-7-18-14/h6-7,10,12H,1-5,8-9,11H2,(H2,16,20).
What are the key properties of (2-amino-2-oxoethyl) 4-(1-pyrazin-2-ylpiperidin-4-yl)butanoate?
(2-amino-2-oxoethyl) 4-(1-pyrazin-2-ylpiperidin-4-yl)butanoate has a molecular weight of 306.37 g/mol, XLogP of 0.89, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxoethyl) 4-(1-pyrazin-2-ylpiperidin-4-yl)butanoate is sourced from PubChem (CID 58032790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).