[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] naphthalene-1-carboxylate

C19H21NO3 — CID 2558282

IUPAC[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] naphthalene-1-carboxylate
SMILESC[C@@H]1CCCCN1C(=O)COC(=O)c1cccc2ccccc12
InChIInChI=1S/C19H21NO3/c1-14-7-4-5-12-20(14)18(21)13-23-19(22)17-11-6-9-15-8-2-3-10-16(15)17/h2-3,6,8-11,14H,4-5,7,12-13H2,1H3/t14-/m1/s1
InChIKeyNQLNJZBZYJVURP-CQSZACIVSA-N
MW311.38 g/mol
LogP3.40
Rot. Bonds3

About [2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] naphthalene-1-carboxylate

[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] naphthalene-1-carboxylate (PubChem CID 2558282) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is [2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] naphthalene-1-carboxylate.

Molecular Properties

Compound Name[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] naphthalene-1-carboxylate
PubChem CID2558282
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] naphthalene-1-carboxylate
SMILESC[C@@H]1CCCCN1C(=O)COC(=O)c1cccc2ccccc12
InChIInChI=1S/C19H21NO3/c1-14-7-4-5-12-20(14)18(21)13-23-19(22)17-11-6-9-15-8-2-3-10-16(15)17/h2-3,6,8-11,14H,4-5,7,12-13H2,1H3/t14-/m1/s1
InChIKeyNQLNJZBZYJVURP-CQSZACIVSA-N
XLogP3.40
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 1,4-dihydroxynaphthalene-2-carboxylate
CID 7228522
[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-chloroquinoline-4-carboxylate
CID 9009468
[(2R)-2-methylpiperidin-1-yl]-naphthalen-1-ylmethanone
CID 13185578
[2-(2-methylpiperidin-1-yl)-2-oxoethyl] 2-(difluoromethoxy)benzoate
CID 55327333
[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-anilinobenzoate
CID 7505878
[2-(2-methylpiperidin-1-yl)-2-oxoethyl] 2,3,4-trimethoxybenzoate
CID 16523934
[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-(methanesulfonamido)benzoate
CID 8015609
[2-(2-methylpiperidin-1-yl)-2-oxoethyl] 2-(2-phenoxyethoxy)benzoate
CID 55317036
[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 7395353
[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl] 3-methyl-1-benzothiophene-2-carboxylate
CID 11930749
[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 4-oxo-3H-phthalazine-1-carboxylate
CID 7503535
[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-(2-cyanophenyl)sulfanylbenzoate
CID 7832648

Frequently Asked Questions

What is the IUPAC name of [2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] naphthalene-1-carboxylate?
The IUPAC name of [2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] naphthalene-1-carboxylate (CID 2558282) is [2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] naphthalene-1-carboxylate.
What is the SMILES notation for [2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] naphthalene-1-carboxylate?
The canonical SMILES for [2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] naphthalene-1-carboxylate is C[C@@H]1CCCCN1C(=O)COC(=O)c1cccc2ccccc12.
What is the InChIKey of [2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] naphthalene-1-carboxylate?
The InChIKey is NQLNJZBZYJVURP-CQSZACIVSA-N. The full InChI is InChI=1S/C19H21NO3/c1-14-7-4-5-12-20(14)18(21)13-23-19(22)17-11-6-9-15-8-2-3-10-16(15)17/h2-3,6,8-11,14H,4-5,7,12-13H2,1H3/t14-/m1/s1.
What are the key properties of [2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] naphthalene-1-carboxylate?
[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] naphthalene-1-carboxylate has a molecular weight of 311.38 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] naphthalene-1-carboxylate is sourced from PubChem (CID 2558282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).