(4-amino-3,3-dimethylpiperidin-1-yl)-[1-(benzenesulfonyl)piperidin-4-yl]methanone;hydrochloride

C19H30ClN3O3S — CID 120816101

IUPAC(4-amino-3,3-dimethylpiperidin-1-yl)-[1-(benzenesulfonyl)piperidin-4-yl]methanone;hydrochloride
SMILESCC1(C)CN(C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)CCC1N.Cl
InChIInChI=1S/C19H29N3O3S.ClH/c1-19(2)14-21(11-10-17(19)20)18(23)15-8-12-22(13-9-15)26(24,25)16-6-4-3-5-7-16;/h3-7,15,17H,8-14,20H2,1-2H3;1H
InChIKeyZHLRTUQBYBSUJF-UHFFFAOYSA-N
MW415.99 g/mol
LogP2.09
Rot. Bonds3

About (4-amino-3,3-dimethylpiperidin-1-yl)-[1-(benzenesulfonyl)piperidin-4-yl]methanone;hydrochloride

(4-amino-3,3-dimethylpiperidin-1-yl)-[1-(benzenesulfonyl)piperidin-4-yl]methanone;hydrochloride (PubChem CID 120816101) has the molecular formula C19H30ClN3O3S and a molecular weight of 415.99 g/mol. Its IUPAC name is (4-amino-3,3-dimethylpiperidin-1-yl)-[1-(benzenesulfonyl)piperidin-4-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(4-amino-3,3-dimethylpiperidin-1-yl)-[1-(benzenesulfonyl)piperidin-4-yl]methanone;hydrochloride
PubChem CID120816101
Molecular FormulaC19H30ClN3O3S
Molecular Weight415.99 g/mol
Exact Mass415.17
IUPAC Name(4-amino-3,3-dimethylpiperidin-1-yl)-[1-(benzenesulfonyl)piperidin-4-yl]methanone;hydrochloride
SMILESCC1(C)CN(C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)CCC1N.Cl
InChIInChI=1S/C19H29N3O3S.ClH/c1-19(2)14-21(11-10-17(19)20)18(23)15-8-12-22(13-9-15)26(24,25)16-6-4-3-5-7-16;/h3-7,15,17H,8-14,20H2,1-2H3;1H
InChIKeyZHLRTUQBYBSUJF-UHFFFAOYSA-N
XLogP2.09
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.99
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-N-phenylpiperidine-1-carboxamide;hydrochloride
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[4-(benzenesulfonyl)piperazin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
CID 26020158
(4-amino-3,3-dimethylpiperidin-1-yl)-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone;hydrochloride
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[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-[1-(benzenesulfonyl)piperidin-4-yl]methanone
CID 2315531
[1-(benzenesulfonyl)piperidin-4-yl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
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[4-(benzenesulfonyl)piperazin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone
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(4-amino-3,3-dimethylpiperidin-1-yl)-(3-morpholin-4-ylsulfonylphenyl)methanone;hydrochloride
CID 120814606
(4-amino-3,3-dimethylpiperidin-1-yl)-phenylmethanone;hydrochloride
CID 120815405
1-[1-(benzenesulfonyl)piperidine-4-carbonyl]piperidine-3-carboxamide
CID 42910389
1-(benzenesulfonyl)piperidin-4-amine;hydrochloride
CID 53433554
(4-amino-3,3-dimethylpiperidin-1-yl)-(thian-4-yl)methanone
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Frequently Asked Questions

What is the IUPAC name of (4-amino-3,3-dimethylpiperidin-1-yl)-[1-(benzenesulfonyl)piperidin-4-yl]methanone;hydrochloride?
The IUPAC name of (4-amino-3,3-dimethylpiperidin-1-yl)-[1-(benzenesulfonyl)piperidin-4-yl]methanone;hydrochloride (CID 120816101) is (4-amino-3,3-dimethylpiperidin-1-yl)-[1-(benzenesulfonyl)piperidin-4-yl]methanone;hydrochloride.
What is the SMILES notation for (4-amino-3,3-dimethylpiperidin-1-yl)-[1-(benzenesulfonyl)piperidin-4-yl]methanone;hydrochloride?
The canonical SMILES for (4-amino-3,3-dimethylpiperidin-1-yl)-[1-(benzenesulfonyl)piperidin-4-yl]methanone;hydrochloride is CC1(C)CN(C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)CCC1N.Cl.
What is the InChIKey of (4-amino-3,3-dimethylpiperidin-1-yl)-[1-(benzenesulfonyl)piperidin-4-yl]methanone;hydrochloride?
The InChIKey is ZHLRTUQBYBSUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3S.ClH/c1-19(2)14-21(11-10-17(19)20)18(23)15-8-12-22(13-9-15)26(24,25)16-6-4-3-5-7-16;/h3-7,15,17H,8-14,20H2,1-2H3;1H.
What are the key properties of (4-amino-3,3-dimethylpiperidin-1-yl)-[1-(benzenesulfonyl)piperidin-4-yl]methanone;hydrochloride?
(4-amino-3,3-dimethylpiperidin-1-yl)-[1-(benzenesulfonyl)piperidin-4-yl]methanone;hydrochloride has a molecular weight of 415.99 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3,3-dimethylpiperidin-1-yl)-[1-(benzenesulfonyl)piperidin-4-yl]methanone;hydrochloride is sourced from PubChem (CID 120816101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).