[1-[2-hydroxy-2-(3-methoxyquinoxalin-5-yl)ethyl]piperidin-4-yl]carbamic acid

C17H22N4O4 — CID 69063193

IUPAC[1-[2-hydroxy-2-(3-methoxyquinoxalin-5-yl)ethyl]piperidin-4-yl]carbamic acid
SMILESCOc1cnc2cccc(C(O)CN3CCC(NC(=O)O)CC3)c2n1
InChIInChI=1S/C17H22N4O4/c1-25-15-9-18-13-4-2-3-12(16(13)20-15)14(22)10-21-7-5-11(6-8-21)19-17(23)24/h2-4,9,11,14,19,22H,5-8,10H2,1H3,(H,23,24)
InChIKeyMJUPWJRRNNDQOZ-UHFFFAOYSA-N
MW346.39 g/mol
LogP1.40
Rot. Bonds5

About [1-[2-hydroxy-2-(3-methoxyquinoxalin-5-yl)ethyl]piperidin-4-yl]carbamic acid

[1-[2-hydroxy-2-(3-methoxyquinoxalin-5-yl)ethyl]piperidin-4-yl]carbamic acid (PubChem CID 69063193) has the molecular formula C17H22N4O4 and a molecular weight of 346.39 g/mol. Its IUPAC name is [1-[2-hydroxy-2-(3-methoxyquinoxalin-5-yl)ethyl]piperidin-4-yl]carbamic acid.

Molecular Properties

Compound Name[1-[2-hydroxy-2-(3-methoxyquinoxalin-5-yl)ethyl]piperidin-4-yl]carbamic acid
PubChem CID69063193
Molecular FormulaC17H22N4O4
Molecular Weight346.39 g/mol
Exact Mass346.16
IUPAC Name[1-[2-hydroxy-2-(3-methoxyquinoxalin-5-yl)ethyl]piperidin-4-yl]carbamic acid
SMILESCOc1cnc2cccc(C(O)CN3CCC(NC(=O)O)CC3)c2n1
InChIInChI=1S/C17H22N4O4/c1-25-15-9-18-13-4-2-3-12(16(13)20-15)14(22)10-21-7-5-11(6-8-21)19-17(23)24/h2-4,9,11,14,19,22H,5-8,10H2,1H3,(H,23,24)
InChIKeyMJUPWJRRNNDQOZ-UHFFFAOYSA-N
XLogP1.40
TPSA107.81 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

[1-[2-[(6-methoxy-4-phenylmethoxy-1,5-naphthyridin-3-yl)oxy]ethyl]piperidin-4-yl]carbamic acid
CID 141275453
(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(3-methoxyquinoxalin-5-yl)ethanol
CID 67131095
[1-[2-(7-bromo-2-methoxyquinolin-8-yl)-3-hydroxypropyl]piperidin-4-yl]carbamic acid
CID 68531406
6-[[[1-[2-hydroxy-2-(3-methoxyquinoxalin-5-yl)ethyl]piperidin-3-yl]methylamino]methyl]-4H-1,4-benzothiazin-3-one
CID 58989647
(1R)-2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol
CID 10297708
6-[[[8-[2-hydroxy-2-(3-methoxyquinoxalin-5-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]amino]methyl]-4H-1,4-benzoxazin-3-one
CID 58989649
benzyl N-[[(3S)-1-[(2S)-2-hydroxy-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-yl]methyl]carbamate
CID 59026170
ethyl (E)-3-[8-[2-[4-(ethylamino)piperidin-1-yl]-1-hydroxyethyl]-2-methoxyquinolin-5-yl]prop-2-enoate
CID 163857133
6-[[[1-[(2S)-2-hydroxy-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 69373936
[1-(2-hydroxy-3-methoxypropyl)piperidin-4-yl]carbamic acid
CID 154258087
7-[[[1-[(2R)-2-hydroxy-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-1H-pyrido[3,4-b][1,4]thiazin-2-one
CID 10277506
[1-tert-butyl-1-[2-(6-fluoro-3-methoxyquinoxalin-5-yl)-3-hydroxypropyl]piperidin-1-ium-4-yl]carbamic acid
CID 69279597

Frequently Asked Questions

What is the IUPAC name of [1-[2-hydroxy-2-(3-methoxyquinoxalin-5-yl)ethyl]piperidin-4-yl]carbamic acid?
The IUPAC name of [1-[2-hydroxy-2-(3-methoxyquinoxalin-5-yl)ethyl]piperidin-4-yl]carbamic acid (CID 69063193) is [1-[2-hydroxy-2-(3-methoxyquinoxalin-5-yl)ethyl]piperidin-4-yl]carbamic acid.
What is the SMILES notation for [1-[2-hydroxy-2-(3-methoxyquinoxalin-5-yl)ethyl]piperidin-4-yl]carbamic acid?
The canonical SMILES for [1-[2-hydroxy-2-(3-methoxyquinoxalin-5-yl)ethyl]piperidin-4-yl]carbamic acid is COc1cnc2cccc(C(O)CN3CCC(NC(=O)O)CC3)c2n1.
What is the InChIKey of [1-[2-hydroxy-2-(3-methoxyquinoxalin-5-yl)ethyl]piperidin-4-yl]carbamic acid?
The InChIKey is MJUPWJRRNNDQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O4/c1-25-15-9-18-13-4-2-3-12(16(13)20-15)14(22)10-21-7-5-11(6-8-21)19-17(23)24/h2-4,9,11,14,19,22H,5-8,10H2,1H3,(H,23,24).
What are the key properties of [1-[2-hydroxy-2-(3-methoxyquinoxalin-5-yl)ethyl]piperidin-4-yl]carbamic acid?
[1-[2-hydroxy-2-(3-methoxyquinoxalin-5-yl)ethyl]piperidin-4-yl]carbamic acid has a molecular weight of 346.39 g/mol, XLogP of 1.40, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-hydroxy-2-(3-methoxyquinoxalin-5-yl)ethyl]piperidin-4-yl]carbamic acid is sourced from PubChem (CID 69063193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).