(2-amino-2-oxoethyl)-[2-(1-quinoxalin-2-ylpiperidin-4-yl)ethyl]carbamic acid

C18H23N5O3 — CID 67136648

IUPAC(2-amino-2-oxoethyl)-[2-(1-quinoxalin-2-ylpiperidin-4-yl)ethyl]carbamic acid
SMILESNC(=O)CN(CCC1CCN(c2cnc3ccccc3n2)CC1)C(=O)O
InChIInChI=1S/C18H23N5O3/c19-16(24)12-23(18(25)26)10-7-13-5-8-22(9-6-13)17-11-20-14-3-1-2-4-15(14)21-17/h1-4,11,13H,5-10,12H2,(H2,19,24)(H,25,26)
InChIKeyLTTFSZRBQUJCDY-UHFFFAOYSA-N
MW357.41 g/mol
LogP1.70
Rot. Bonds6

About (2-amino-2-oxoethyl)-[2-(1-quinoxalin-2-ylpiperidin-4-yl)ethyl]carbamic acid

(2-amino-2-oxoethyl)-[2-(1-quinoxalin-2-ylpiperidin-4-yl)ethyl]carbamic acid (PubChem CID 67136648) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is (2-amino-2-oxoethyl)-[2-(1-quinoxalin-2-ylpiperidin-4-yl)ethyl]carbamic acid.

Molecular Properties

Compound Name(2-amino-2-oxoethyl)-[2-(1-quinoxalin-2-ylpiperidin-4-yl)ethyl]carbamic acid
PubChem CID67136648
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC Name(2-amino-2-oxoethyl)-[2-(1-quinoxalin-2-ylpiperidin-4-yl)ethyl]carbamic acid
SMILESNC(=O)CN(CCC1CCN(c2cnc3ccccc3n2)CC1)C(=O)O
InChIInChI=1S/C18H23N5O3/c19-16(24)12-23(18(25)26)10-7-13-5-8-22(9-6-13)17-11-20-14-3-1-2-4-15(14)21-17/h1-4,11,13H,5-10,12H2,(H2,19,24)(H,25,26)
InChIKeyLTTFSZRBQUJCDY-UHFFFAOYSA-N
XLogP1.70
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N,2,2-trimethyl-N-[(1-quinoxalin-2-ylpiperidin-4-yl)methyl]propanamide
CID 171702415
1-pyrrolidin-1-yl-2-(1-quinoxalin-2-ylpiperidin-4-yl)ethanone
CID 56815426
2-(1-quinoxalin-2-ylpyrrolidin-3-yl)ethanamine
CID 114802420
1-quinoxalin-2-ylazepane-4-carboxylic acid
CID 139695402
N-(1-quinoxalin-2-ylpiperidin-4-yl)benzamide
CID 33378138
2-[3-(bromomethyl)pyrrolidin-1-yl]quinoxaline
CID 80679052
(3S)-1-quinoxalin-2-ylpyrrolidin-3-amine;hydrochloride
CID 71643977
3-[(3R,4S)-4-(4-methylpiperazin-1-yl)-1-quinoxalin-2-ylpiperidin-3-yl]propanoic acid
CID 72854497
2-(4-propan-2-ylpiperidin-1-yl)quinoxaline
CID 59598901
2-(1-isoquinolin-1-ylpiperidin-4-yl)ethyl-[2-(methylamino)-2-oxoethyl]carbamic acid
CID 67136222
2-(1-quinoxalin-2-ylpiperidin-4-yl)oxyethanamine
CID 82692840
(2-amino-2-oxoethyl)-[[1-(3-bromo-2-pyridinyl)piperidin-4-yl]methyl]carbamic acid
CID 67136190

Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxoethyl)-[2-(1-quinoxalin-2-ylpiperidin-4-yl)ethyl]carbamic acid?
The IUPAC name of (2-amino-2-oxoethyl)-[2-(1-quinoxalin-2-ylpiperidin-4-yl)ethyl]carbamic acid (CID 67136648) is (2-amino-2-oxoethyl)-[2-(1-quinoxalin-2-ylpiperidin-4-yl)ethyl]carbamic acid.
What is the SMILES notation for (2-amino-2-oxoethyl)-[2-(1-quinoxalin-2-ylpiperidin-4-yl)ethyl]carbamic acid?
The canonical SMILES for (2-amino-2-oxoethyl)-[2-(1-quinoxalin-2-ylpiperidin-4-yl)ethyl]carbamic acid is NC(=O)CN(CCC1CCN(c2cnc3ccccc3n2)CC1)C(=O)O.
What is the InChIKey of (2-amino-2-oxoethyl)-[2-(1-quinoxalin-2-ylpiperidin-4-yl)ethyl]carbamic acid?
The InChIKey is LTTFSZRBQUJCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3/c19-16(24)12-23(18(25)26)10-7-13-5-8-22(9-6-13)17-11-20-14-3-1-2-4-15(14)21-17/h1-4,11,13H,5-10,12H2,(H2,19,24)(H,25,26).
What are the key properties of (2-amino-2-oxoethyl)-[2-(1-quinoxalin-2-ylpiperidin-4-yl)ethyl]carbamic acid?
(2-amino-2-oxoethyl)-[2-(1-quinoxalin-2-ylpiperidin-4-yl)ethyl]carbamic acid has a molecular weight of 357.41 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxoethyl)-[2-(1-quinoxalin-2-ylpiperidin-4-yl)ethyl]carbamic acid is sourced from PubChem (CID 67136648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).