[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)methanone

C20H21F2N3O3S — CID 24678468

IUPAC[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)methanone
SMILESO=C(C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1)N1CCCc2ncccc21
InChIInChI=1S/C20H21F2N3O3S/c21-15-5-6-16(22)19(13-15)29(27,28)24-11-7-14(8-12-24)20(26)25-10-2-3-17-18(25)4-1-9-23-17/h1,4-6,9,13-14H,2-3,7-8,10-12H2
InChIKeyXGEGBPBECGMXOR-UHFFFAOYSA-N
MW421.47 g/mol
LogP2.74
Rot. Bonds3

About [1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)methanone

[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)methanone (PubChem CID 24678468) has the molecular formula C20H21F2N3O3S and a molecular weight of 421.47 g/mol. Its IUPAC name is [1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)methanone.

Molecular Properties

Compound Name[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)methanone
PubChem CID24678468
Molecular FormulaC20H21F2N3O3S
Molecular Weight421.47 g/mol
Exact Mass421.13
IUPAC Name[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)methanone
SMILESO=C(C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1)N1CCCc2ncccc21
InChIInChI=1S/C20H21F2N3O3S/c21-15-5-6-16(22)19(13-15)29(27,28)24-11-7-14(8-12-24)20(26)25-10-2-3-17-18(25)4-1-9-23-17/h1,4-6,9,13-14H,2-3,7-8,10-12H2
InChIKeyXGEGBPBECGMXOR-UHFFFAOYSA-N
XLogP2.74
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.47
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

cyclohexyl-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 9370793
[1-[(2-chloro-3-pyridinyl)sulfonyl]piperidin-4-yl]-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 31845377
(3,4-difluorophenyl)-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)methanone
CID 24678454
(3-aminopiperidin-1-yl)-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]methanone;hydrochloride
CID 119381535
tert-butyl 4-[1-(2,5-difluorophenyl)sulfonylpiperidine-4-carbonyl]piperazine-1-carboxylate
CID 46511637
3,4-dihydro-2H-1,5-benzothiazepin-5-yl-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]methanone
CID 18189913
[1-[(2-chloro-3-pyridinyl)sulfonyl]piperidin-4-yl]-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 55674032
N-[2-(azepan-1-yl)ethyl]-1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxamide
CID 55613661
1-(2,5-difluorophenyl)sulfonyl-N-[4-(methylcarbamoylamino)phenyl]piperidine-4-carboxamide
CID 55521485
1-(2,5-difluorophenyl)sulfonyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]piperidine-4-carboxamide
CID 46467269
[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]-(2-naphthalen-1-ylpyrrolidin-1-yl)methanone
CID 60575634
ethyl 1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxylate
CID 78797808

Frequently Asked Questions

What is the IUPAC name of [1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)methanone?
The IUPAC name of [1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)methanone (CID 24678468) is [1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)methanone.
What is the SMILES notation for [1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)methanone?
The canonical SMILES for [1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)methanone is O=C(C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1)N1CCCc2ncccc21.
What is the InChIKey of [1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)methanone?
The InChIKey is XGEGBPBECGMXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N3O3S/c21-15-5-6-16(22)19(13-15)29(27,28)24-11-7-14(8-12-24)20(26)25-10-2-3-17-18(25)4-1-9-23-17/h1,4-6,9,13-14H,2-3,7-8,10-12H2.
What are the key properties of [1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)methanone?
[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)methanone has a molecular weight of 421.47 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)methanone is sourced from PubChem (CID 24678468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).