[1-(6-acetylnaphthalen-2-yl)piperidin-4-yl]methyl pyrrolidine-1-carboxylate

C23H28N2O3 — CID 10762340

IUPAC[1-(6-acetylnaphthalen-2-yl)piperidin-4-yl]methyl pyrrolidine-1-carboxylate
SMILESCC(=O)c1ccc2cc(N3CCC(COC(=O)N4CCCC4)CC3)ccc2c1
InChIInChI=1S/C23H28N2O3/c1-17(26)19-4-5-21-15-22(7-6-20(21)14-19)24-12-8-18(9-13-24)16-28-23(27)25-10-2-3-11-25/h4-7,14-15,18H,2-3,8-13,16H2,1H3
InChIKeyWLJSLHYYXHVWKT-UHFFFAOYSA-N
MW380.49 g/mol
LogP4.49
Rot. Bonds4

About [1-(6-acetylnaphthalen-2-yl)piperidin-4-yl]methyl pyrrolidine-1-carboxylate

[1-(6-acetylnaphthalen-2-yl)piperidin-4-yl]methyl pyrrolidine-1-carboxylate (PubChem CID 10762340) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is [1-(6-acetylnaphthalen-2-yl)piperidin-4-yl]methyl pyrrolidine-1-carboxylate.

Molecular Properties

Compound Name[1-(6-acetylnaphthalen-2-yl)piperidin-4-yl]methyl pyrrolidine-1-carboxylate
PubChem CID10762340
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name[1-(6-acetylnaphthalen-2-yl)piperidin-4-yl]methyl pyrrolidine-1-carboxylate
SMILESCC(=O)c1ccc2cc(N3CCC(COC(=O)N4CCCC4)CC3)ccc2c1
InChIInChI=1S/C23H28N2O3/c1-17(26)19-4-5-21-15-22(7-6-20(21)14-19)24-12-8-18(9-13-24)16-28-23(27)25-10-2-3-11-25/h4-7,14-15,18H,2-3,8-13,16H2,1H3
InChIKeyWLJSLHYYXHVWKT-UHFFFAOYSA-N
XLogP4.49
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

cyclohexylmethyl pyrrolidine-1-carboxylate
CID 85230627
piperazine;1-(6-piperazin-1-ylnaphthalen-2-yl)ethanone;hydrate
CID 159731714
benzyl 4-[(5-acetyl-2-methoxyphenoxy)methyl]piperidine-1-carboxylate
CID 166624647
ethyl 2-[1-(3-acetylphenyl)piperidin-4-yl]acetate
CID 91526545
1-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]ethanone
CID 143437550
[(3R)-oxan-3-yl]methyl 4-(4-fluorophenyl)piperazine-1-carboxylate
CID 58156501
1-[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]ethanone
CID 20673114
1-[4-(4-benzylpiperidin-1-yl)phenyl]ethanone
CID 39402702
1-[3-chloro-4-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]ethanone
CID 64599153
1-[2-amino-4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]ethanone
CID 113423185
N-[[1-(3-amino-4-cyanophenyl)piperidin-4-yl]methyl]acetamide
CID 102735880
1-naphthalen-2-ylpyrrolidine-3-carboxamide
CID 123803254

Frequently Asked Questions

What is the IUPAC name of [1-(6-acetylnaphthalen-2-yl)piperidin-4-yl]methyl pyrrolidine-1-carboxylate?
The IUPAC name of [1-(6-acetylnaphthalen-2-yl)piperidin-4-yl]methyl pyrrolidine-1-carboxylate (CID 10762340) is [1-(6-acetylnaphthalen-2-yl)piperidin-4-yl]methyl pyrrolidine-1-carboxylate.
What is the SMILES notation for [1-(6-acetylnaphthalen-2-yl)piperidin-4-yl]methyl pyrrolidine-1-carboxylate?
The canonical SMILES for [1-(6-acetylnaphthalen-2-yl)piperidin-4-yl]methyl pyrrolidine-1-carboxylate is CC(=O)c1ccc2cc(N3CCC(COC(=O)N4CCCC4)CC3)ccc2c1.
What is the InChIKey of [1-(6-acetylnaphthalen-2-yl)piperidin-4-yl]methyl pyrrolidine-1-carboxylate?
The InChIKey is WLJSLHYYXHVWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-17(26)19-4-5-21-15-22(7-6-20(21)14-19)24-12-8-18(9-13-24)16-28-23(27)25-10-2-3-11-25/h4-7,14-15,18H,2-3,8-13,16H2,1H3.
What are the key properties of [1-(6-acetylnaphthalen-2-yl)piperidin-4-yl]methyl pyrrolidine-1-carboxylate?
[1-(6-acetylnaphthalen-2-yl)piperidin-4-yl]methyl pyrrolidine-1-carboxylate has a molecular weight of 380.49 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-acetylnaphthalen-2-yl)piperidin-4-yl]methyl pyrrolidine-1-carboxylate is sourced from PubChem (CID 10762340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).