(2-amino-2-oxoethyl) 4-(1-quinolin-3-ylpiperidin-4-yl)butanoate

C20H25N3O3 — CID 58032803

IUPAC(2-amino-2-oxoethyl) 4-(1-quinolin-3-ylpiperidin-4-yl)butanoate
SMILESNC(=O)COC(=O)CCCC1CCN(c2cnc3ccccc3c2)CC1
InChIInChI=1S/C20H25N3O3/c21-19(24)14-26-20(25)7-3-4-15-8-10-23(11-9-15)17-12-16-5-1-2-6-18(16)22-13-17/h1-2,5-6,12-13,15H,3-4,7-11,14H2,(H2,21,24)
InChIKeyGDUZKJVAIGQNLE-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.65
Rot. Bonds7

About (2-amino-2-oxoethyl) 4-(1-quinolin-3-ylpiperidin-4-yl)butanoate

(2-amino-2-oxoethyl) 4-(1-quinolin-3-ylpiperidin-4-yl)butanoate (PubChem CID 58032803) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is (2-amino-2-oxoethyl) 4-(1-quinolin-3-ylpiperidin-4-yl)butanoate.

Molecular Properties

Compound Name(2-amino-2-oxoethyl) 4-(1-quinolin-3-ylpiperidin-4-yl)butanoate
PubChem CID58032803
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name(2-amino-2-oxoethyl) 4-(1-quinolin-3-ylpiperidin-4-yl)butanoate
SMILESNC(=O)COC(=O)CCCC1CCN(c2cnc3ccccc3c2)CC1
InChIInChI=1S/C20H25N3O3/c21-19(24)14-26-20(25)7-3-4-15-8-10-23(11-9-15)17-12-16-5-1-2-6-18(16)22-13-17/h1-2,5-6,12-13,15H,3-4,7-11,14H2,(H2,21,24)
InChIKeyGDUZKJVAIGQNLE-UHFFFAOYSA-N
XLogP2.65
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-amino-2-oxoethyl) 4-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]butanoate
CID 58032679
(2-amino-2-oxoethyl) 4-[1-(6-bromo-2-pyridinyl)piperidin-4-yl]butanoate
CID 58032757
(2-amino-2-oxoethyl) 4-(1-pyrazin-2-ylpiperidin-4-yl)butanoate
CID 58032790
[2-(methylamino)-2-oxoethyl] 4-(1-isoquinolin-3-ylpiperidin-4-yl)butanoate
CID 58032707
(2-amino-2-oxoethyl) 4-[1-(8-chloroquinolin-2-yl)piperidin-4-yl]butanoate;(2-amino-2-oxoethyl) 4-(1-quinolin-3-ylpiperidin-4-yl)butanoate;(2-amino-2-oxoethyl) 4-(1-quinolin-4-ylpiperidin-4-yl)butanoate;[2-(methylamino)-2-oxoethyl] 2-(1-isoquinolin-1-ylpiperidin-4-yl)acetate;[2-(methylamino)-2-oxoethyl] 3-(1-isoquinolin-1-ylpiperidin-4-yl)propanoate;[2-(methylamino)-2-oxoethyl] 4-[1-(1,5-naphthyridin-2-yl)piperidin-4-yl]butanoate;[2-(methylamino)-2-oxoethyl] 4-(1-quinolin-3-ylpiperidin-4-yl)butanoate;[2-(methylamino)-2-oxoethyl] 4-(1-quinolin-4-ylpiperidin-4-yl)butanoate
CID 159944479
(2-amino-2-oxoethyl) 3-[1-(4-phenylpyrimidin-2-yl)piperidin-4-yl]propanoate
CID 58032701
(2-amino-2-oxoethyl) 3-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]propanoate
CID 58032791
4-quinolin-3-ylpiperazine-1-carboxylic acid
CID 69402111
(2-amino-2-oxoethyl) 3-[1-(6-phenylpyridazin-3-yl)piperidin-4-yl]propanoate
CID 58032724
[2-(methylamino)-2-oxoethyl] 4-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]butanoate
CID 58032739
N-[(1-quinolin-3-ylpyrrolidin-3-yl)methyl]propan-1-amine
CID 62783429
3-(4-pyrazol-1-ylpiperidin-1-yl)quinoline
CID 110454729

Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxoethyl) 4-(1-quinolin-3-ylpiperidin-4-yl)butanoate?
The IUPAC name of (2-amino-2-oxoethyl) 4-(1-quinolin-3-ylpiperidin-4-yl)butanoate (CID 58032803) is (2-amino-2-oxoethyl) 4-(1-quinolin-3-ylpiperidin-4-yl)butanoate.
What is the SMILES notation for (2-amino-2-oxoethyl) 4-(1-quinolin-3-ylpiperidin-4-yl)butanoate?
The canonical SMILES for (2-amino-2-oxoethyl) 4-(1-quinolin-3-ylpiperidin-4-yl)butanoate is NC(=O)COC(=O)CCCC1CCN(c2cnc3ccccc3c2)CC1.
What is the InChIKey of (2-amino-2-oxoethyl) 4-(1-quinolin-3-ylpiperidin-4-yl)butanoate?
The InChIKey is GDUZKJVAIGQNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c21-19(24)14-26-20(25)7-3-4-15-8-10-23(11-9-15)17-12-16-5-1-2-6-18(16)22-13-17/h1-2,5-6,12-13,15H,3-4,7-11,14H2,(H2,21,24).
What are the key properties of (2-amino-2-oxoethyl) 4-(1-quinolin-3-ylpiperidin-4-yl)butanoate?
(2-amino-2-oxoethyl) 4-(1-quinolin-3-ylpiperidin-4-yl)butanoate has a molecular weight of 355.44 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxoethyl) 4-(1-quinolin-3-ylpiperidin-4-yl)butanoate is sourced from PubChem (CID 58032803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).