2-piperidin-4-ylpropan-2-yl 2-(7-methoxynaphthalen-1-yl)acetate

C21H27NO3 — CID 155075742

IUPAC2-piperidin-4-ylpropan-2-yl 2-(7-methoxynaphthalen-1-yl)acetate
SMILESCOc1ccc2cccc(CC(=O)OC(C)(C)C3CCNCC3)c2c1
InChIInChI=1S/C21H27NO3/c1-21(2,17-9-11-22-12-10-17)25-20(23)13-16-6-4-5-15-7-8-18(24-3)14-19(15)16/h4-8,14,17,22H,9-13H2,1-3H3
InChIKeyRJELHHZKVHNURA-UHFFFAOYSA-N
MW341.45 g/mol
LogP3.71
Rot. Bonds5

About 2-piperidin-4-ylpropan-2-yl 2-(7-methoxynaphthalen-1-yl)acetate

2-piperidin-4-ylpropan-2-yl 2-(7-methoxynaphthalen-1-yl)acetate (PubChem CID 155075742) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is 2-piperidin-4-ylpropan-2-yl 2-(7-methoxynaphthalen-1-yl)acetate.

Molecular Properties

Compound Name2-piperidin-4-ylpropan-2-yl 2-(7-methoxynaphthalen-1-yl)acetate
PubChem CID155075742
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC Name2-piperidin-4-ylpropan-2-yl 2-(7-methoxynaphthalen-1-yl)acetate
SMILESCOc1ccc2cccc(CC(=O)OC(C)(C)C3CCNCC3)c2c1
InChIInChI=1S/C21H27NO3/c1-21(2,17-9-11-22-12-10-17)25-20(23)13-16-6-4-5-15-7-8-18(24-3)14-19(15)16/h4-8,14,17,22H,9-13H2,1-3H3
InChIKeyRJELHHZKVHNURA-UHFFFAOYSA-N
XLogP3.71
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-piperidin-4-ylpropan-2-yl 6-methoxynaphthalene-2-carboxylate
CID 155075561
2-piperidin-4-ylpropan-2-yl 2-(2-bromophenyl)acetate
CID 155605208
2-piperidin-4-ylpropan-2-yl 2-(2,5-dihydroxyphenyl)acetate
CID 155075664
1-cyclopropyl-3-(7-methoxynaphthalen-1-yl)propan-2-one
CID 113325067
3-[(7-methoxynaphthalen-1-yl)methyl]pyrrolidine
CID 19096229
2-piperidin-4-ylpropan-2-yl 2-(4-hydroxy-3,5-dimethoxyphenyl)acetate
CID 155075532
1-(7-methoxynaphthalen-1-yl)-3-methylbut-3-en-2-one
CID 113325070
2-piperidin-4-ylpropan-2-yl propanoate
CID 155605403
2-piperidin-4-ylpropan-2-yl 6-hydroxynaphthalene-2-carboxylate
CID 155075746
N-[(7-methoxynaphthalen-1-yl)methoxy]cyclopropanecarboxamide
CID 19967333
cis-(1R,3S)-3-[[2-(7-methoxynaphthalen-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120678697
2-[cyclopropyl-[2-(7-methoxynaphthalen-1-yl)acetyl]amino]propanoic acid
CID 120519197

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-ylpropan-2-yl 2-(7-methoxynaphthalen-1-yl)acetate?
The IUPAC name of 2-piperidin-4-ylpropan-2-yl 2-(7-methoxynaphthalen-1-yl)acetate (CID 155075742) is 2-piperidin-4-ylpropan-2-yl 2-(7-methoxynaphthalen-1-yl)acetate.
What is the SMILES notation for 2-piperidin-4-ylpropan-2-yl 2-(7-methoxynaphthalen-1-yl)acetate?
The canonical SMILES for 2-piperidin-4-ylpropan-2-yl 2-(7-methoxynaphthalen-1-yl)acetate is COc1ccc2cccc(CC(=O)OC(C)(C)C3CCNCC3)c2c1.
What is the InChIKey of 2-piperidin-4-ylpropan-2-yl 2-(7-methoxynaphthalen-1-yl)acetate?
The InChIKey is RJELHHZKVHNURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3/c1-21(2,17-9-11-22-12-10-17)25-20(23)13-16-6-4-5-15-7-8-18(24-3)14-19(15)16/h4-8,14,17,22H,9-13H2,1-3H3.
What are the key properties of 2-piperidin-4-ylpropan-2-yl 2-(7-methoxynaphthalen-1-yl)acetate?
2-piperidin-4-ylpropan-2-yl 2-(7-methoxynaphthalen-1-yl)acetate has a molecular weight of 341.45 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-ylpropan-2-yl 2-(7-methoxynaphthalen-1-yl)acetate is sourced from PubChem (CID 155075742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).