4-(methylamino)-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]butanamide;hydrochloride

C17H28ClN3O3S — CID 119699481

IUPAC4-(methylamino)-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]butanamide;hydrochloride
SMILESCNCCCC(=O)NC1CCN(S(=O)(=O)c2ccc(C)cc2)CC1.Cl
InChIInChI=1S/C17H27N3O3S.ClH/c1-14-5-7-16(8-6-14)24(22,23)20-12-9-15(10-13-20)19-17(21)4-3-11-18-2;/h5-8,15,18H,3-4,9-13H2,1-2H3,(H,19,21);1H
InChIKeyORLZWLWXPDGMRM-UHFFFAOYSA-N
MW389.95 g/mol
LogP1.69
Rot. Bonds7

About 4-(methylamino)-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]butanamide;hydrochloride

4-(methylamino)-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]butanamide;hydrochloride (PubChem CID 119699481) has the molecular formula C17H28ClN3O3S and a molecular weight of 389.95 g/mol. Its IUPAC name is 4-(methylamino)-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]butanamide;hydrochloride.

Molecular Properties

Compound Name4-(methylamino)-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]butanamide;hydrochloride
PubChem CID119699481
Molecular FormulaC17H28ClN3O3S
Molecular Weight389.95 g/mol
Exact Mass389.15
IUPAC Name4-(methylamino)-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]butanamide;hydrochloride
SMILESCNCCCC(=O)NC1CCN(S(=O)(=O)c2ccc(C)cc2)CC1.Cl
InChIInChI=1S/C17H27N3O3S.ClH/c1-14-5-7-16(8-6-14)24(22,23)20-12-9-15(10-13-20)19-17(21)4-3-11-18-2;/h5-8,15,18H,3-4,9-13H2,1-2H3,(H,19,21);1H
InChIKeyORLZWLWXPDGMRM-UHFFFAOYSA-N
XLogP1.69
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.95
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-methyl-3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]urea
CID 53497979
N-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-4-(4-methylphenyl)-4-oxobutanamide
CID 108560467
4-amino-3-methoxy-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]butanamide;hydrochloride
CID 120587685
2-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]propanamide
CID 18143240
[4-[4-[4-(2,5-dimethylphenoxy)butanoylamino]piperidin-1-yl]sulfonylphenyl]methanesulfinic acid
CID 174927251
2-(1-adamantyl)-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetamide
CID 108559969
N-[1-(benzenesulfonyl)piperidin-4-yl]butanamide
CID 61073647
3-(1,3-benzodioxol-5-yl)-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]propanamide
CID 42030306
N-[1-(4-bromophenyl)sulfonylpiperidin-4-yl]-4-oxopentanamide
CID 108562846
2-amino-3-methoxy-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]propanamide
CID 120984521
N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-4-methylpentanamide
CID 25465668
N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]azocane-1-carboxamide
CID 78833850

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]butanamide;hydrochloride?
The IUPAC name of 4-(methylamino)-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]butanamide;hydrochloride (CID 119699481) is 4-(methylamino)-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]butanamide;hydrochloride.
What is the SMILES notation for 4-(methylamino)-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]butanamide;hydrochloride?
The canonical SMILES for 4-(methylamino)-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]butanamide;hydrochloride is CNCCCC(=O)NC1CCN(S(=O)(=O)c2ccc(C)cc2)CC1.Cl.
What is the InChIKey of 4-(methylamino)-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]butanamide;hydrochloride?
The InChIKey is ORLZWLWXPDGMRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3S.ClH/c1-14-5-7-16(8-6-14)24(22,23)20-12-9-15(10-13-20)19-17(21)4-3-11-18-2;/h5-8,15,18H,3-4,9-13H2,1-2H3,(H,19,21);1H.
What are the key properties of 4-(methylamino)-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]butanamide;hydrochloride?
4-(methylamino)-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]butanamide;hydrochloride has a molecular weight of 389.95 g/mol, XLogP of 1.69, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]butanamide;hydrochloride is sourced from PubChem (CID 119699481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).