methyl N-[1-[2-hydroxy-3-[(2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxy]propyl]piperidin-4-yl]carbamate

C19H27N3O5 — CID 15677015

IUPACmethyl N-[1-[2-hydroxy-3-[(2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxy]propyl]piperidin-4-yl]carbamate
SMILESCOC(=O)NC1CCN(CC(O)COc2cccc3c2CCC(=O)N3)CC1
InChIInChI=1S/C19H27N3O5/c1-26-19(25)20-13-7-9-22(10-8-13)11-14(23)12-27-17-4-2-3-16-15(17)5-6-18(24)21-16/h2-4,13-14,23H,5-12H2,1H3,(H,20,25)(H,21,24)
InChIKeyXXHFHULFRUGGKX-UHFFFAOYSA-N
MW377.44 g/mol
LogP1.13
Rot. Bonds6

About methyl N-[1-[2-hydroxy-3-[(2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxy]propyl]piperidin-4-yl]carbamate

methyl N-[1-[2-hydroxy-3-[(2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxy]propyl]piperidin-4-yl]carbamate (PubChem CID 15677015) has the molecular formula C19H27N3O5 and a molecular weight of 377.44 g/mol. Its IUPAC name is methyl N-[1-[2-hydroxy-3-[(2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxy]propyl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[1-[2-hydroxy-3-[(2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxy]propyl]piperidin-4-yl]carbamate
PubChem CID15677015
Molecular FormulaC19H27N3O5
Molecular Weight377.44 g/mol
Exact Mass377.20
IUPAC Namemethyl N-[1-[2-hydroxy-3-[(2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxy]propyl]piperidin-4-yl]carbamate
SMILESCOC(=O)NC1CCN(CC(O)COc2cccc3c2CCC(=O)N3)CC1
InChIInChI=1S/C19H27N3O5/c1-26-19(25)20-13-7-9-22(10-8-13)11-14(23)12-27-17-4-2-3-16-15(17)5-6-18(24)21-16/h2-4,13-14,23H,5-12H2,1H3,(H,20,25)(H,21,24)
InChIKeyXXHFHULFRUGGKX-UHFFFAOYSA-N
XLogP1.13
TPSA100.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze methyl N-[1-[2-hydroxy-3-[(2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxy]propyl]piperidin-4-yl]carbamate with MolForge

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Related Compounds

(2-hydroxy-2-methylpropyl) N-[1-[2-hydroxy-3-[(2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxy]propyl]piperidin-4-yl]carbamate;hydrochloride
CID 19913805
[1-[4-(2-methylpropoxycarbonylamino)piperidin-1-yl]-3-[(2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxy]propan-2-yl] acetate
CID 15677066
ethyl N-[1-[2-hydroxy-3-[(8-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxy]propyl]piperidin-4-yl]carbamate
CID 19913744
5-[3-(cyclohexylamino)-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one;hydrochloride
CID 3040189
4-[2-hydroxy-3-[4-[(2-methoxyphenoxy)methyl]piperidin-1-yl]propoxy]-1,3-dihydroindol-2-one
CID 70573175
benzoic acid;5-[3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one
CID 170341081
5-(2-hydroxypropoxy)-3,4-dihydro-1H-quinolin-2-one
CID 70399576
ethane;5-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3,4-dihydro-1H-quinolin-2-one
CID 143124186
5-[2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propoxy]-3,4-dihydro-1H-quinolin-2-one
CID 14750950
6-[3-(butan-2-ylamino)-2-hydroxypropoxy]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 20531643
tris(5-[3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one);tris[2-(4-carboxyphenoxy)ethyl]-methylazanium;chloride
CID 44818067
(2S)-1-(2-methylphenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 769296

Frequently Asked Questions

What is the IUPAC name of methyl N-[1-[2-hydroxy-3-[(2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxy]propyl]piperidin-4-yl]carbamate?
The IUPAC name of methyl N-[1-[2-hydroxy-3-[(2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxy]propyl]piperidin-4-yl]carbamate (CID 15677015) is methyl N-[1-[2-hydroxy-3-[(2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxy]propyl]piperidin-4-yl]carbamate.
What is the SMILES notation for methyl N-[1-[2-hydroxy-3-[(2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxy]propyl]piperidin-4-yl]carbamate?
The canonical SMILES for methyl N-[1-[2-hydroxy-3-[(2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxy]propyl]piperidin-4-yl]carbamate is COC(=O)NC1CCN(CC(O)COc2cccc3c2CCC(=O)N3)CC1.
What is the InChIKey of methyl N-[1-[2-hydroxy-3-[(2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxy]propyl]piperidin-4-yl]carbamate?
The InChIKey is XXHFHULFRUGGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O5/c1-26-19(25)20-13-7-9-22(10-8-13)11-14(23)12-27-17-4-2-3-16-15(17)5-6-18(24)21-16/h2-4,13-14,23H,5-12H2,1H3,(H,20,25)(H,21,24).
What are the key properties of methyl N-[1-[2-hydroxy-3-[(2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxy]propyl]piperidin-4-yl]carbamate?
methyl N-[1-[2-hydroxy-3-[(2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxy]propyl]piperidin-4-yl]carbamate has a molecular weight of 377.44 g/mol, XLogP of 1.13, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-[2-hydroxy-3-[(2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxy]propyl]piperidin-4-yl]carbamate is sourced from PubChem (CID 15677015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).