(1-acetylnaphthalen-2-yl) 4-methylpiperidine-1-carboxylate

C19H21NO3 — CID 11515131

IUPAC(1-acetylnaphthalen-2-yl) 4-methylpiperidine-1-carboxylate
SMILESCC(=O)c1c(OC(=O)N2CCC(C)CC2)ccc2ccccc12
InChIInChI=1S/C19H21NO3/c1-13-9-11-20(12-10-13)19(22)23-17-8-7-15-5-3-4-6-16(15)18(17)14(2)21/h3-8,13H,9-12H2,1-2H3
InChIKeyAYIQMCQAASONOS-UHFFFAOYSA-N
MW311.38 g/mol
LogP4.27
Rot. Bonds2

About (1-acetylnaphthalen-2-yl) 4-methylpiperidine-1-carboxylate

(1-acetylnaphthalen-2-yl) 4-methylpiperidine-1-carboxylate (PubChem CID 11515131) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is (1-acetylnaphthalen-2-yl) 4-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Name(1-acetylnaphthalen-2-yl) 4-methylpiperidine-1-carboxylate
PubChem CID11515131
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name(1-acetylnaphthalen-2-yl) 4-methylpiperidine-1-carboxylate
SMILESCC(=O)c1c(OC(=O)N2CCC(C)CC2)ccc2ccccc12
InChIInChI=1S/C19H21NO3/c1-13-9-11-20(12-10-13)19(22)23-17-8-7-15-5-3-4-6-16(15)18(17)14(2)21/h3-8,13H,9-12H2,1-2H3
InChIKeyAYIQMCQAASONOS-UHFFFAOYSA-N
XLogP4.27
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1-acetylnaphthalen-2-yl) 4-benzylpiperidine-1-carboxylate
CID 11625234
1-(2-methoxynaphthalen-1-yl)-2-(4-methylpiperidin-1-yl)ethanone
CID 82050994
1H-indazol-3-yl 4-methylpiperidine-1-carboxylate
CID 11184512
naphthalen-1-yl thiomorpholine-4-carboxylate
CID 138533444
(1-carbamoylnaphthalen-2-yl) 4-[4-(trifluoromethyl)benzoyl]-1,4-diazepane-1-carboxylate
CID 90885485
1H-indol-3-yl 4-(4-methylpiperazin-1-yl)piperidine-1-carboxylate
CID 68557501
2-(1-bromonaphthalen-2-yl)oxy-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 28637403
[4-(2-aminoethyl)phenyl] 4-methylpiperidine-1-carboxylate
CID 79337661
(2-chlorophenyl) 4-ethylpiperidine-1-carboxylate
CID 89322008
1-[2-(2-hydroxyethoxy)naphthalen-1-yl]ethanone;1-(2-hydroxynaphthalen-1-yl)ethanone
CID 157383372
(2-ethoxynaphthalen-1-yl)-(3-methylsulfonylpyrrolidin-1-yl)methanone
CID 90584648
(2R)-1-(4-methylpiperidin-1-yl)-2-naphthalen-2-yloxybutan-1-one
CID 92674448

Frequently Asked Questions

What is the IUPAC name of (1-acetylnaphthalen-2-yl) 4-methylpiperidine-1-carboxylate?
The IUPAC name of (1-acetylnaphthalen-2-yl) 4-methylpiperidine-1-carboxylate (CID 11515131) is (1-acetylnaphthalen-2-yl) 4-methylpiperidine-1-carboxylate.
What is the SMILES notation for (1-acetylnaphthalen-2-yl) 4-methylpiperidine-1-carboxylate?
The canonical SMILES for (1-acetylnaphthalen-2-yl) 4-methylpiperidine-1-carboxylate is CC(=O)c1c(OC(=O)N2CCC(C)CC2)ccc2ccccc12.
What is the InChIKey of (1-acetylnaphthalen-2-yl) 4-methylpiperidine-1-carboxylate?
The InChIKey is AYIQMCQAASONOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-13-9-11-20(12-10-13)19(22)23-17-8-7-15-5-3-4-6-16(15)18(17)14(2)21/h3-8,13H,9-12H2,1-2H3.
What are the key properties of (1-acetylnaphthalen-2-yl) 4-methylpiperidine-1-carboxylate?
(1-acetylnaphthalen-2-yl) 4-methylpiperidine-1-carboxylate has a molecular weight of 311.38 g/mol, XLogP of 4.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-acetylnaphthalen-2-yl) 4-methylpiperidine-1-carboxylate is sourced from PubChem (CID 11515131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).