(4-aminopiperidin-1-yl)-[1-(benzenesulfonyl)piperidin-2-yl]methanone;hydrochloride

C17H26ClN3O3S — CID 119373052

IUPAC(4-aminopiperidin-1-yl)-[1-(benzenesulfonyl)piperidin-2-yl]methanone;hydrochloride
SMILESCl.NC1CCN(C(=O)C2CCCCN2S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C17H25N3O3S.ClH/c18-14-9-12-19(13-10-14)17(21)16-8-4-5-11-20(16)24(22,23)15-6-2-1-3-7-15;/h1-3,6-7,14,16H,4-5,8-13,18H2;1H
InChIKeyOKMPFDQOTYGWGO-UHFFFAOYSA-N
MW387.93 g/mol
LogP1.60
Rot. Bonds3

About (4-aminopiperidin-1-yl)-[1-(benzenesulfonyl)piperidin-2-yl]methanone;hydrochloride

(4-aminopiperidin-1-yl)-[1-(benzenesulfonyl)piperidin-2-yl]methanone;hydrochloride (PubChem CID 119373052) has the molecular formula C17H26ClN3O3S and a molecular weight of 387.93 g/mol. Its IUPAC name is (4-aminopiperidin-1-yl)-[1-(benzenesulfonyl)piperidin-2-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(4-aminopiperidin-1-yl)-[1-(benzenesulfonyl)piperidin-2-yl]methanone;hydrochloride
PubChem CID119373052
Molecular FormulaC17H26ClN3O3S
Molecular Weight387.93 g/mol
Exact Mass387.14
IUPAC Name(4-aminopiperidin-1-yl)-[1-(benzenesulfonyl)piperidin-2-yl]methanone;hydrochloride
SMILESCl.NC1CCN(C(=O)C2CCCCN2S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C17H25N3O3S.ClH/c18-14-9-12-19(13-10-14)17(21)16-8-4-5-11-20(16)24(22,23)15-6-2-1-3-7-15;/h1-3,6-7,14,16H,4-5,8-13,18H2;1H
InChIKeyOKMPFDQOTYGWGO-UHFFFAOYSA-N
XLogP1.60
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.93
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-pyrrolidin-1-ylmethanone
CID 7221204
[4-[1-(benzenesulfonyl)piperidine-2-carbonyl]piperazin-1-yl]-cyclopentylmethanone
CID 55567553
[3-(aminomethyl)pyrrolidin-1-yl]-[1-(benzenesulfonyl)pyrrolidin-2-yl]methanone;hydrochloride
CID 119487072
[(2S)-1-(benzenesulfonyl)piperidin-2-yl]-(4-benzylpiperazin-1-yl)methanone
CID 1190427
1-[1-(benzenesulfonyl)pyrrolidine-2-carbonyl]-4-hydroxypiperidine-4-carboxylic acid
CID 119251462
[3-(1-aminoethyl)piperidin-1-yl]-[1-(benzenesulfonyl)piperidin-2-yl]methanone
CID 119592933
azepan-1-yl-[1-(4-bromophenyl)sulfonylpiperidin-2-yl]methanone
CID 24604648
[1-(benzenesulfonyl)piperidin-2-yl]-[4-(4-ethylbenzoyl)piperazin-1-yl]methanone
CID 43060932
[1-(benzenesulfonyl)piperidin-2-yl]-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methanone
CID 46698817
(4-aminopiperidin-1-yl)-[1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-2-yl]methanone;hydrochloride
CID 119375688
[1-(benzenesulfonyl)piperidin-2-yl]-[4-(2,5-dimethylphenoxy)piperidin-1-yl]methanone
CID 60574167
[1-(benzenesulfonyl)piperidin-2-yl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 55447550

Frequently Asked Questions

What is the IUPAC name of (4-aminopiperidin-1-yl)-[1-(benzenesulfonyl)piperidin-2-yl]methanone;hydrochloride?
The IUPAC name of (4-aminopiperidin-1-yl)-[1-(benzenesulfonyl)piperidin-2-yl]methanone;hydrochloride (CID 119373052) is (4-aminopiperidin-1-yl)-[1-(benzenesulfonyl)piperidin-2-yl]methanone;hydrochloride.
What is the SMILES notation for (4-aminopiperidin-1-yl)-[1-(benzenesulfonyl)piperidin-2-yl]methanone;hydrochloride?
The canonical SMILES for (4-aminopiperidin-1-yl)-[1-(benzenesulfonyl)piperidin-2-yl]methanone;hydrochloride is Cl.NC1CCN(C(=O)C2CCCCN2S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of (4-aminopiperidin-1-yl)-[1-(benzenesulfonyl)piperidin-2-yl]methanone;hydrochloride?
The InChIKey is OKMPFDQOTYGWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3S.ClH/c18-14-9-12-19(13-10-14)17(21)16-8-4-5-11-20(16)24(22,23)15-6-2-1-3-7-15;/h1-3,6-7,14,16H,4-5,8-13,18H2;1H.
What are the key properties of (4-aminopiperidin-1-yl)-[1-(benzenesulfonyl)piperidin-2-yl]methanone;hydrochloride?
(4-aminopiperidin-1-yl)-[1-(benzenesulfonyl)piperidin-2-yl]methanone;hydrochloride has a molecular weight of 387.93 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminopiperidin-1-yl)-[1-(benzenesulfonyl)piperidin-2-yl]methanone;hydrochloride is sourced from PubChem (CID 119373052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).