[1-[3-(2-methylpropyl)-1,2-oxazole-5-carbonyl]piperidin-3-yl]-naphthalen-2-ylmethanone

C24H26N2O3 — CID 56914040

IUPAC[1-[3-(2-methylpropyl)-1,2-oxazole-5-carbonyl]piperidin-3-yl]-naphthalen-2-ylmethanone
SMILESCC(C)Cc1cc(C(=O)N2CCCC(C(=O)c3ccc4ccccc4c3)C2)on1
InChIInChI=1S/C24H26N2O3/c1-16(2)12-21-14-22(29-25-21)24(28)26-11-5-8-20(15-26)23(27)19-10-9-17-6-3-4-7-18(17)13-19/h3-4,6-7,9-10,13-14,16,20H,5,8,11-12,15H2,1-2H3
InChIKeyIJLUHYFWVNQROD-UHFFFAOYSA-N
MW390.48 g/mol
LogP4.76
Rot. Bonds5

About [1-[3-(2-methylpropyl)-1,2-oxazole-5-carbonyl]piperidin-3-yl]-naphthalen-2-ylmethanone

[1-[3-(2-methylpropyl)-1,2-oxazole-5-carbonyl]piperidin-3-yl]-naphthalen-2-ylmethanone (PubChem CID 56914040) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is [1-[3-(2-methylpropyl)-1,2-oxazole-5-carbonyl]piperidin-3-yl]-naphthalen-2-ylmethanone.

Molecular Properties

Compound Name[1-[3-(2-methylpropyl)-1,2-oxazole-5-carbonyl]piperidin-3-yl]-naphthalen-2-ylmethanone
PubChem CID56914040
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC Name[1-[3-(2-methylpropyl)-1,2-oxazole-5-carbonyl]piperidin-3-yl]-naphthalen-2-ylmethanone
SMILESCC(C)Cc1cc(C(=O)N2CCCC(C(=O)c3ccc4ccccc4c3)C2)on1
InChIInChI=1S/C24H26N2O3/c1-16(2)12-21-14-22(29-25-21)24(28)26-11-5-8-20(15-26)23(27)19-10-9-17-6-3-4-7-18(17)13-19/h3-4,6-7,9-10,13-14,16,20H,5,8,11-12,15H2,1-2H3
InChIKeyIJLUHYFWVNQROD-UHFFFAOYSA-N
XLogP4.76
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

naphthalen-2-yl-[(3R)-1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidin-3-yl]methanone
CID 25281752
[1-[5-(methylsulfanylmethyl)furan-2-carbonyl]piperidin-3-yl]-naphthalen-2-ylmethanone
CID 45248371
[3-(2-methylpropyl)-1,2-oxazol-5-yl]-[(4R)-4-phenylazepan-1-yl]methanone
CID 97147383
[1-(2-amino-6-propan-2-ylpyrimidine-4-carbonyl)piperidin-3-yl]-naphthalen-2-ylmethanone
CID 45245706
[1-(1-ethylpyrazole-4-carbonyl)piperidin-3-yl]-naphthalen-2-ylmethanone
CID 24790219
[(3R)-1-[5-(methoxymethyl)thiophene-2-carbonyl]piperidin-3-yl]-naphthalen-2-ylmethanone
CID 26319479
2-amino-2-methyl-1-[(3R)-3-(naphthalene-2-carbonyl)piperidin-1-yl]propan-1-one
CID 97138818
(6S)-1-methyl-4-[3-(2-methylpropyl)-1,2-oxazole-5-carbonyl]-1,4-diazepane-6-carboxamide
CID 124946177
4-[3-(naphthalene-2-carbonyl)piperidin-1-yl]-4-oxobutanamide
CID 45220396
tert-butyl 3-(naphthalene-2-carbonyl)piperidine-1-carboxylate
CID 174881226
1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperidine-3-carboxylic acid
CID 119167740
[(3S)-1-(imidazo[1,2-a]pyridine-2-carbonyl)piperidin-3-yl]-naphthalen-2-ylmethanone
CID 42518126

Frequently Asked Questions

What is the IUPAC name of [1-[3-(2-methylpropyl)-1,2-oxazole-5-carbonyl]piperidin-3-yl]-naphthalen-2-ylmethanone?
The IUPAC name of [1-[3-(2-methylpropyl)-1,2-oxazole-5-carbonyl]piperidin-3-yl]-naphthalen-2-ylmethanone (CID 56914040) is [1-[3-(2-methylpropyl)-1,2-oxazole-5-carbonyl]piperidin-3-yl]-naphthalen-2-ylmethanone.
What is the SMILES notation for [1-[3-(2-methylpropyl)-1,2-oxazole-5-carbonyl]piperidin-3-yl]-naphthalen-2-ylmethanone?
The canonical SMILES for [1-[3-(2-methylpropyl)-1,2-oxazole-5-carbonyl]piperidin-3-yl]-naphthalen-2-ylmethanone is CC(C)Cc1cc(C(=O)N2CCCC(C(=O)c3ccc4ccccc4c3)C2)on1.
What is the InChIKey of [1-[3-(2-methylpropyl)-1,2-oxazole-5-carbonyl]piperidin-3-yl]-naphthalen-2-ylmethanone?
The InChIKey is IJLUHYFWVNQROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-16(2)12-21-14-22(29-25-21)24(28)26-11-5-8-20(15-26)23(27)19-10-9-17-6-3-4-7-18(17)13-19/h3-4,6-7,9-10,13-14,16,20H,5,8,11-12,15H2,1-2H3.
What are the key properties of [1-[3-(2-methylpropyl)-1,2-oxazole-5-carbonyl]piperidin-3-yl]-naphthalen-2-ylmethanone?
[1-[3-(2-methylpropyl)-1,2-oxazole-5-carbonyl]piperidin-3-yl]-naphthalen-2-ylmethanone has a molecular weight of 390.48 g/mol, XLogP of 4.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(2-methylpropyl)-1,2-oxazole-5-carbonyl]piperidin-3-yl]-naphthalen-2-ylmethanone is sourced from PubChem (CID 56914040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).