naphthalen-1-ylmethyl 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate

C22H27NO3 — CID 31711326

IUPACnaphthalen-1-ylmethyl 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate
SMILESCC(C)(C)C(=O)N1CCC(C(=O)OCc2cccc3ccccc23)CC1
InChIInChI=1S/C22H27NO3/c1-22(2,3)21(25)23-13-11-17(12-14-23)20(24)26-15-18-9-6-8-16-7-4-5-10-19(16)18/h4-10,17H,11-15H2,1-3H3
InChIKeyJHHAPUBLWRZHDA-UHFFFAOYSA-N
MW353.46 g/mol
LogP4.17
Rot. Bonds3

About naphthalen-1-ylmethyl 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate

naphthalen-1-ylmethyl 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate (PubChem CID 31711326) has the molecular formula C22H27NO3 and a molecular weight of 353.46 g/mol. Its IUPAC name is naphthalen-1-ylmethyl 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namenaphthalen-1-ylmethyl 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate
PubChem CID31711326
Molecular FormulaC22H27NO3
Molecular Weight353.46 g/mol
Exact Mass353.20
IUPAC Namenaphthalen-1-ylmethyl 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate
SMILESCC(C)(C)C(=O)N1CCC(C(=O)OCc2cccc3ccccc23)CC1
InChIInChI=1S/C22H27NO3/c1-22(2,3)21(25)23-13-11-17(12-14-23)20(24)26-15-18-9-6-8-16-7-4-5-10-19(16)18/h4-10,17H,11-15H2,1-3H3
InChIKeyJHHAPUBLWRZHDA-UHFFFAOYSA-N
XLogP4.17
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-chloro-4-methylquinolin-2-yl)methyl 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate
CID 55367355
(2-ethoxycarbonyl-1-benzofuran-3-yl)methyl 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate
CID 30123421
(3-cyanophenyl)methyl 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate
CID 31711675
1-O-tert-butyl 2-O-(naphthalen-1-ylmethyl) (2S)-pyrrolidine-1,2-dicarboxylate
CID 11908656
naphthalen-1-ylmethyl 1-(5-carbamoyl-2-pyridinyl)piperidine-4-carboxylate
CID 24657741
1-(2,2-dimethylpropanoyl)-N-(1-naphthalen-1-ylethyl)piperidine-4-carboxamide
CID 46809447
[2-oxo-2-(phenylcarbamoylamino)ethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate
CID 9059242
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate
CID 31711807
(5-methyl-1,2-oxazol-3-yl)methyl 1-(naphthalene-1-carbonyl)piperidine-4-carboxylate
CID 27426027
4-fluoro-3-[4-(naphthalen-1-ylmethoxycarbonyl)cyclohexyl]oxybenzoic acid
CID 167110774
1-[4-[4-(naphthalen-1-ylmethyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 9397930
methyl 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate
CID 777600

Frequently Asked Questions

What is the IUPAC name of naphthalen-1-ylmethyl 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate?
The IUPAC name of naphthalen-1-ylmethyl 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate (CID 31711326) is naphthalen-1-ylmethyl 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate.
What is the SMILES notation for naphthalen-1-ylmethyl 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate?
The canonical SMILES for naphthalen-1-ylmethyl 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate is CC(C)(C)C(=O)N1CCC(C(=O)OCc2cccc3ccccc23)CC1.
What is the InChIKey of naphthalen-1-ylmethyl 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate?
The InChIKey is JHHAPUBLWRZHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO3/c1-22(2,3)21(25)23-13-11-17(12-14-23)20(24)26-15-18-9-6-8-16-7-4-5-10-19(16)18/h4-10,17H,11-15H2,1-3H3.
What are the key properties of naphthalen-1-ylmethyl 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate?
naphthalen-1-ylmethyl 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate has a molecular weight of 353.46 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-ylmethyl 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate is sourced from PubChem (CID 31711326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).