(2-amino-2-oxoethyl) 3-[1-(4-phenylpyrimidin-2-yl)piperidin-4-yl]propanoate

C20H24N4O3 — CID 58032701

IUPAC(2-amino-2-oxoethyl) 3-[1-(4-phenylpyrimidin-2-yl)piperidin-4-yl]propanoate
SMILESNC(=O)COC(=O)CCC1CCN(c2nccc(-c3ccccc3)n2)CC1
InChIInChI=1S/C20H24N4O3/c21-18(25)14-27-19(26)7-6-15-9-12-24(13-10-15)20-22-11-8-17(23-20)16-4-2-1-3-5-16/h1-5,8,11,15H,6-7,9-10,12-14H2,(H2,21,25)
InChIKeyOJCNSEOCUNUAGM-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.17
Rot. Bonds7

About (2-amino-2-oxoethyl) 3-[1-(4-phenylpyrimidin-2-yl)piperidin-4-yl]propanoate

(2-amino-2-oxoethyl) 3-[1-(4-phenylpyrimidin-2-yl)piperidin-4-yl]propanoate (PubChem CID 58032701) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is (2-amino-2-oxoethyl) 3-[1-(4-phenylpyrimidin-2-yl)piperidin-4-yl]propanoate.

Molecular Properties

Compound Name(2-amino-2-oxoethyl) 3-[1-(4-phenylpyrimidin-2-yl)piperidin-4-yl]propanoate
PubChem CID58032701
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name(2-amino-2-oxoethyl) 3-[1-(4-phenylpyrimidin-2-yl)piperidin-4-yl]propanoate
SMILESNC(=O)COC(=O)CCC1CCN(c2nccc(-c3ccccc3)n2)CC1
InChIInChI=1S/C20H24N4O3/c21-18(25)14-27-19(26)7-6-15-9-12-24(13-10-15)20-22-11-8-17(23-20)16-4-2-1-3-5-16/h1-5,8,11,15H,6-7,9-10,12-14H2,(H2,21,25)
InChIKeyOJCNSEOCUNUAGM-UHFFFAOYSA-N
XLogP2.17
TPSA98.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxoethyl) 3-[1-(4-phenylpyrimidin-2-yl)piperidin-4-yl]propanoate?
The IUPAC name of (2-amino-2-oxoethyl) 3-[1-(4-phenylpyrimidin-2-yl)piperidin-4-yl]propanoate (CID 58032701) is (2-amino-2-oxoethyl) 3-[1-(4-phenylpyrimidin-2-yl)piperidin-4-yl]propanoate.
What is the SMILES notation for (2-amino-2-oxoethyl) 3-[1-(4-phenylpyrimidin-2-yl)piperidin-4-yl]propanoate?
The canonical SMILES for (2-amino-2-oxoethyl) 3-[1-(4-phenylpyrimidin-2-yl)piperidin-4-yl]propanoate is NC(=O)COC(=O)CCC1CCN(c2nccc(-c3ccccc3)n2)CC1.
What is the InChIKey of (2-amino-2-oxoethyl) 3-[1-(4-phenylpyrimidin-2-yl)piperidin-4-yl]propanoate?
The InChIKey is OJCNSEOCUNUAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c21-18(25)14-27-19(26)7-6-15-9-12-24(13-10-15)20-22-11-8-17(23-20)16-4-2-1-3-5-16/h1-5,8,11,15H,6-7,9-10,12-14H2,(H2,21,25).
What are the key properties of (2-amino-2-oxoethyl) 3-[1-(4-phenylpyrimidin-2-yl)piperidin-4-yl]propanoate?
(2-amino-2-oxoethyl) 3-[1-(4-phenylpyrimidin-2-yl)piperidin-4-yl]propanoate has a molecular weight of 368.44 g/mol, XLogP of 2.17, 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) 3-[1-(4-phenylpyrimidin-2-yl)piperidin-4-yl]propanoate is sourced from PubChem (CID 58032701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).