(3-aminopiperidin-1-yl)-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]methanone;hydrochloride

C17H24ClF2N3O3S — CID 119381535

IUPAC(3-aminopiperidin-1-yl)-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]methanone;hydrochloride
SMILESCl.NC1CCCN(C(=O)C2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)C1
InChIInChI=1S/C17H23F2N3O3S.ClH/c18-13-3-4-15(19)16(10-13)26(24,25)22-8-5-12(6-9-22)17(23)21-7-1-2-14(20)11-21;/h3-4,10,12,14H,1-2,5-9,11,20H2;1H
InChIKeyYBTMMJDAKDSMIC-UHFFFAOYSA-N
MW423.91 g/mol
LogP1.74
Rot. Bonds3

About (3-aminopiperidin-1-yl)-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]methanone;hydrochloride

(3-aminopiperidin-1-yl)-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]methanone;hydrochloride (PubChem CID 119381535) has the molecular formula C17H24ClF2N3O3S and a molecular weight of 423.91 g/mol. Its IUPAC name is (3-aminopiperidin-1-yl)-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(3-aminopiperidin-1-yl)-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]methanone;hydrochloride
PubChem CID119381535
Molecular FormulaC17H24ClF2N3O3S
Molecular Weight423.91 g/mol
Exact Mass423.12
IUPAC Name(3-aminopiperidin-1-yl)-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]methanone;hydrochloride
SMILESCl.NC1CCCN(C(=O)C2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)C1
InChIInChI=1S/C17H23F2N3O3S.ClH/c18-13-3-4-15(19)16(10-13)26(24,25)22-8-5-12(6-9-22)17(23)21-7-1-2-14(20)11-21;/h3-4,10,12,14H,1-2,5-9,11,20H2;1H
InChIKeyYBTMMJDAKDSMIC-UHFFFAOYSA-N
XLogP1.74
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.91
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cyclohexyl-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 9370793
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CID 119379144
tert-butyl 4-[1-(2,5-difluorophenyl)sulfonylpiperidine-4-carbonyl]piperazine-1-carboxylate
CID 46511637
ethyl 1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxylate
CID 78797808
(3-aminopiperidin-1-yl)-(2,5-difluorophenyl)methanone;hydrochloride
CID 119378374
[(3R)-3-aminopyrrolidin-1-yl]-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]methanone;hydrochloride
CID 119410392
1-[1-(2,5-difluorophenyl)sulfonylpiperidin-3-yl]ethanone
CID 63846761
N-[2-(3-aminopiperidine-1-carbonyl)phenyl]-2,5-difluorobenzenesulfonamide;hydrochloride
CID 119379589
[1-(2,5-difluorophenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 55030656
[(1R)-cyclohex-3-en-1-yl]-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 40818302
1-(2,5-difluorophenyl)sulfonyl-N-[(4-fluorophenyl)-phenylmethyl]piperidine-4-carboxamide
CID 55583452
[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]-(2-naphthalen-1-ylpyrrolidin-1-yl)methanone
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Frequently Asked Questions

What is the IUPAC name of (3-aminopiperidin-1-yl)-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]methanone;hydrochloride?
The IUPAC name of (3-aminopiperidin-1-yl)-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]methanone;hydrochloride (CID 119381535) is (3-aminopiperidin-1-yl)-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]methanone;hydrochloride.
What is the SMILES notation for (3-aminopiperidin-1-yl)-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]methanone;hydrochloride?
The canonical SMILES for (3-aminopiperidin-1-yl)-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]methanone;hydrochloride is Cl.NC1CCCN(C(=O)C2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)C1.
What is the InChIKey of (3-aminopiperidin-1-yl)-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]methanone;hydrochloride?
The InChIKey is YBTMMJDAKDSMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F2N3O3S.ClH/c18-13-3-4-15(19)16(10-13)26(24,25)22-8-5-12(6-9-22)17(23)21-7-1-2-14(20)11-21;/h3-4,10,12,14H,1-2,5-9,11,20H2;1H.
What are the key properties of (3-aminopiperidin-1-yl)-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]methanone;hydrochloride?
(3-aminopiperidin-1-yl)-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]methanone;hydrochloride has a molecular weight of 423.91 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopiperidin-1-yl)-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]methanone;hydrochloride is sourced from PubChem (CID 119381535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).