1,2-dihydroacenaphthylen-5-yl-[(3R)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]methanone

C24H27N3O3S — CID 29220037

IUPAC1,2-dihydroacenaphthylen-5-yl-[(3R)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]methanone
SMILESCc1nn(C)c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)c2ccc3c4c(cccc24)CC3)C1
InChIInChI=1S/C24H27N3O3S/c1-15-24(16(2)26(3)25-15)31(29,30)27-13-5-7-19(14-27)23(28)21-12-11-18-10-9-17-6-4-8-20(21)22(17)18/h4,6,8,11-12,19H,5,7,9-10,13-14H2,1-3H3/t19-/m1/s1
InChIKeyOSKAJKHYWOEPOE-LJQANCHMSA-N
MW437.57 g/mol
LogP3.57
Rot. Bonds4

About 1,2-dihydroacenaphthylen-5-yl-[(3R)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]methanone

1,2-dihydroacenaphthylen-5-yl-[(3R)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]methanone (PubChem CID 29220037) has the molecular formula C24H27N3O3S and a molecular weight of 437.57 g/mol. Its IUPAC name is 1,2-dihydroacenaphthylen-5-yl-[(3R)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]methanone.

Molecular Properties

Compound Name1,2-dihydroacenaphthylen-5-yl-[(3R)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]methanone
PubChem CID29220037
Molecular FormulaC24H27N3O3S
Molecular Weight437.57 g/mol
Exact Mass437.18
IUPAC Name1,2-dihydroacenaphthylen-5-yl-[(3R)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]methanone
SMILESCc1nn(C)c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)c2ccc3c4c(cccc24)CC3)C1
InChIInChI=1S/C24H27N3O3S/c1-15-24(16(2)26(3)25-15)31(29,30)27-13-5-7-19(14-27)23(28)21-12-11-18-10-9-17-6-4-8-20(21)22(17)18/h4,6,8,11-12,19H,5,7,9-10,13-14H2,1-3H3/t19-/m1/s1
InChIKeyOSKAJKHYWOEPOE-LJQANCHMSA-N
XLogP3.57
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxylic acid
CID 79001470
cyclohexyl(1,2-dihydroacenaphthylen-5-yl)methanone
CID 82646222
(3S)-3-(1,2-dihydroacenaphthylene-5-carbonyl)-N-ethylpiperidine-1-carboxamide
CID 25302096
[(3S)-1-(2-aminopyrimidin-4-yl)piperidin-3-yl]-(1,2-dihydroacenaphthylen-5-yl)methanone
CID 95562830
1,2-dihydroacenaphthylen-5-yl-[(3S)-1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]methanone
CID 42392822
ethyl 2-[[3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidine-1-carbonyl]amino]acetate
CID 45212076
1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 55913799
3-[(3S)-3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidine-1-carbonyl]-1-methylquinolin-4-one
CID 25449184
(3S)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-ol
CID 66291193
9-hydroxy-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylazecan-4-one
CID 167796603
(4-quinolin-4-ylpiperazin-1-yl)-[(3S)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]methanone
CID 166173255
2-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 121184119

Frequently Asked Questions

What is the IUPAC name of 1,2-dihydroacenaphthylen-5-yl-[(3R)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]methanone?
The IUPAC name of 1,2-dihydroacenaphthylen-5-yl-[(3R)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]methanone (CID 29220037) is 1,2-dihydroacenaphthylen-5-yl-[(3R)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]methanone.
What is the SMILES notation for 1,2-dihydroacenaphthylen-5-yl-[(3R)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]methanone?
The canonical SMILES for 1,2-dihydroacenaphthylen-5-yl-[(3R)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]methanone is Cc1nn(C)c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)c2ccc3c4c(cccc24)CC3)C1.
What is the InChIKey of 1,2-dihydroacenaphthylen-5-yl-[(3R)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]methanone?
The InChIKey is OSKAJKHYWOEPOE-LJQANCHMSA-N. The full InChI is InChI=1S/C24H27N3O3S/c1-15-24(16(2)26(3)25-15)31(29,30)27-13-5-7-19(14-27)23(28)21-12-11-18-10-9-17-6-4-8-20(21)22(17)18/h4,6,8,11-12,19H,5,7,9-10,13-14H2,1-3H3/t19-/m1/s1.
What are the key properties of 1,2-dihydroacenaphthylen-5-yl-[(3R)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]methanone?
1,2-dihydroacenaphthylen-5-yl-[(3R)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]methanone has a molecular weight of 437.57 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydroacenaphthylen-5-yl-[(3R)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]methanone is sourced from PubChem (CID 29220037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).