4-amino-N-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]butanamide;hydrochloride

C17H28ClN3O5S — CID 119330409

IUPAC4-amino-N-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]butanamide;hydrochloride
SMILESCOc1ccc(S(=O)(=O)N2CCC(NC(=O)CCCN)CC2)cc1OC.Cl
InChIInChI=1S/C17H27N3O5S.ClH/c1-24-15-6-5-14(12-16(15)25-2)26(22,23)20-10-7-13(8-11-20)19-17(21)4-3-9-18;/h5-6,12-13H,3-4,7-11,18H2,1-2H3,(H,19,21);1H
InChIKeyURWAYTBGMZZZBN-UHFFFAOYSA-N
MW421.95 g/mol
LogP1.13
Rot. Bonds8

About 4-amino-N-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]butanamide;hydrochloride

4-amino-N-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]butanamide;hydrochloride (PubChem CID 119330409) has the molecular formula C17H28ClN3O5S and a molecular weight of 421.95 g/mol. Its IUPAC name is 4-amino-N-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]butanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]butanamide;hydrochloride
PubChem CID119330409
Molecular FormulaC17H28ClN3O5S
Molecular Weight421.95 g/mol
Exact Mass421.14
IUPAC Name4-amino-N-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]butanamide;hydrochloride
SMILESCOc1ccc(S(=O)(=O)N2CCC(NC(=O)CCCN)CC2)cc1OC.Cl
InChIInChI=1S/C17H27N3O5S.ClH/c1-24-15-6-5-14(12-16(15)25-2)26(22,23)20-10-7-13(8-11-20)19-17(21)4-3-9-18;/h5-6,12-13H,3-4,7-11,18H2,1-2H3,(H,19,21);1H
InChIKeyURWAYTBGMZZZBN-UHFFFAOYSA-N
XLogP1.13
TPSA110.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.95
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]-2-methylbutanamide
CID 120501272
1-(3,4-dimethoxyphenyl)sulfonyl-N-methylpiperidin-4-amine
CID 119979838
N-cyclopentyl-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 1326017
N-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]acetamide
CID 49458559
N'-[(3S)-1-(3,4-dimethoxyphenyl)sulfonyl-3-hydroxyazepan-4-yl]pentanediamide
CID 173158507
2-methoxy-5-[4-(methylamino)piperidin-1-yl]sulfonylbenzamide;hydrochloride
CID 119979778
1-(3,4-dimethoxyphenyl)sulfonyl-4-(2-methylpropyl)piperidine
CID 171593389
N-[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]-3,4-dimethoxybenzamide
CID 108559133
1-(3,4-dimethoxyphenyl)sulfonyl-N-propylpiperidine-4-carboxamide
CID 27256239
4-(methylamino)-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]butanamide;hydrochloride
CID 119699481
N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-4-methylpentanamide
CID 25465668
3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]propanamide
CID 56569415

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]butanamide;hydrochloride?
The IUPAC name of 4-amino-N-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]butanamide;hydrochloride (CID 119330409) is 4-amino-N-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]butanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]butanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]butanamide;hydrochloride is COc1ccc(S(=O)(=O)N2CCC(NC(=O)CCCN)CC2)cc1OC.Cl.
What is the InChIKey of 4-amino-N-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]butanamide;hydrochloride?
The InChIKey is URWAYTBGMZZZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O5S.ClH/c1-24-15-6-5-14(12-16(15)25-2)26(22,23)20-10-7-13(8-11-20)19-17(21)4-3-9-18;/h5-6,12-13H,3-4,7-11,18H2,1-2H3,(H,19,21);1H.
What are the key properties of 4-amino-N-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]butanamide;hydrochloride?
4-amino-N-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]butanamide;hydrochloride has a molecular weight of 421.95 g/mol, XLogP of 1.13, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]butanamide;hydrochloride is sourced from PubChem (CID 119330409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).