1-[(3S)-3-(6-methoxynaphthalene-2-carbonyl)piperidin-1-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone

C22H23N3O4S — CID 42362817

IUPAC1-[(3S)-3-(6-methoxynaphthalene-2-carbonyl)piperidin-1-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
SMILESCOc1ccc2cc(C(=O)[C@H]3CCCN(C(=O)CSc4nnc(C)o4)C3)ccc2c1
InChIInChI=1S/C22H23N3O4S/c1-14-23-24-22(29-14)30-13-20(26)25-9-3-4-18(12-25)21(27)17-6-5-16-11-19(28-2)8-7-15(16)10-17/h5-8,10-11,18H,3-4,9,12-13H2,1-2H3/t18-/m0/s1
InChIKeyCFXRXINUUHOBNR-SFHVURJKSA-N
MW425.51 g/mol
LogP3.75
Rot. Bonds6

About 1-[(3S)-3-(6-methoxynaphthalene-2-carbonyl)piperidin-1-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone

1-[(3S)-3-(6-methoxynaphthalene-2-carbonyl)piperidin-1-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone (PubChem CID 42362817) has the molecular formula C22H23N3O4S and a molecular weight of 425.51 g/mol. Its IUPAC name is 1-[(3S)-3-(6-methoxynaphthalene-2-carbonyl)piperidin-1-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone.

Molecular Properties

Compound Name1-[(3S)-3-(6-methoxynaphthalene-2-carbonyl)piperidin-1-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
PubChem CID42362817
Molecular FormulaC22H23N3O4S
Molecular Weight425.51 g/mol
Exact Mass425.14
IUPAC Name1-[(3S)-3-(6-methoxynaphthalene-2-carbonyl)piperidin-1-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
SMILESCOc1ccc2cc(C(=O)[C@H]3CCCN(C(=O)CSc4nnc(C)o4)C3)ccc2c1
InChIInChI=1S/C22H23N3O4S/c1-14-23-24-22(29-14)30-13-20(26)25-9-3-4-18(12-25)21(27)17-6-5-16-11-19(28-2)8-7-15(16)10-17/h5-8,10-11,18H,3-4,9,12-13H2,1-2H3/t18-/m0/s1
InChIKeyCFXRXINUUHOBNR-SFHVURJKSA-N
XLogP3.75
TPSA85.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(3S)-1-[2-[[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]piperidine-3-carboxamide
CID 8644369
2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-[3-(4-methoxy-3,5-dimethylbenzoyl)piperidin-1-yl]ethanone
CID 45178325
N-(2,4-dimethoxyphenyl)-3-(6-methoxynaphthalene-2-carbonyl)piperidine-1-carboxamide
CID 45211600
1-[3-(3-fluoro-4-methoxybenzoyl)piperidin-1-yl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone
CID 45174746
(6-methoxynaphthalen-2-yl)-[(3R)-1-(1,3-thiazole-5-carbonyl)piperidin-3-yl]methanone
CID 26390778
(6-methoxynaphthalen-2-yl)-[1-(1,3-thiazole-5-carbonyl)piperidin-3-yl]methanone
CID 24791502
1-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
CID 118776934
(3R)-1-[2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]piperidine-3-carboxamide
CID 9404693
[1-(2-fluoroethyl)piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone
CID 121479372
methyl 3-(4-methoxybenzoyl)piperidine-1-carboxylate
CID 110394724
cyclopentyl-[3-(4-methoxybenzoyl)piperidin-1-yl]methanone
CID 110394678
(E)-1-[(3R)-3-(6-methoxynaphthalene-2-carbonyl)piperidin-1-yl]-3-pyridin-2-ylprop-2-en-1-one
CID 42532181

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-(6-methoxynaphthalene-2-carbonyl)piperidin-1-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone?
The IUPAC name of 1-[(3S)-3-(6-methoxynaphthalene-2-carbonyl)piperidin-1-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone (CID 42362817) is 1-[(3S)-3-(6-methoxynaphthalene-2-carbonyl)piperidin-1-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone.
What is the SMILES notation for 1-[(3S)-3-(6-methoxynaphthalene-2-carbonyl)piperidin-1-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone?
The canonical SMILES for 1-[(3S)-3-(6-methoxynaphthalene-2-carbonyl)piperidin-1-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone is COc1ccc2cc(C(=O)[C@H]3CCCN(C(=O)CSc4nnc(C)o4)C3)ccc2c1.
What is the InChIKey of 1-[(3S)-3-(6-methoxynaphthalene-2-carbonyl)piperidin-1-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone?
The InChIKey is CFXRXINUUHOBNR-SFHVURJKSA-N. The full InChI is InChI=1S/C22H23N3O4S/c1-14-23-24-22(29-14)30-13-20(26)25-9-3-4-18(12-25)21(27)17-6-5-16-11-19(28-2)8-7-15(16)10-17/h5-8,10-11,18H,3-4,9,12-13H2,1-2H3/t18-/m0/s1.
What are the key properties of 1-[(3S)-3-(6-methoxynaphthalene-2-carbonyl)piperidin-1-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone?
1-[(3S)-3-(6-methoxynaphthalene-2-carbonyl)piperidin-1-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone has a molecular weight of 425.51 g/mol, XLogP of 3.75, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-(6-methoxynaphthalene-2-carbonyl)piperidin-1-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone is sourced from PubChem (CID 42362817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).