4-amino-3-methoxy-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]butanamide;hydrochloride

C17H28ClN3O4S — CID 120587685

IUPAC4-amino-3-methoxy-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]butanamide;hydrochloride
SMILESCOC(CN)CC(=O)NC1CCN(S(=O)(=O)c2ccc(C)cc2)CC1.Cl
InChIInChI=1S/C17H27N3O4S.ClH/c1-13-3-5-16(6-4-13)25(22,23)20-9-7-14(8-10-20)19-17(21)11-15(12-18)24-2;/h3-6,14-15H,7-12,18H2,1-2H3,(H,19,21);1H
InChIKeyFEPNJQQQTLPBJN-UHFFFAOYSA-N
MW405.95 g/mol
LogP1.05
Rot. Bonds7

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

4-amino-3-methoxy-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]butanamide;hydrochloride (PubChem CID 120587685) has the molecular formula C17H28ClN3O4S and a molecular weight of 405.95 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]butanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-3-methoxy-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]butanamide;hydrochloride
PubChem CID120587685
Molecular FormulaC17H28ClN3O4S
Molecular Weight405.95 g/mol
Exact Mass405.15
IUPAC Name4-amino-3-methoxy-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]butanamide;hydrochloride
SMILESCOC(CN)CC(=O)NC1CCN(S(=O)(=O)c2ccc(C)cc2)CC1.Cl
InChIInChI=1S/C17H27N3O4S.ClH/c1-13-3-5-16(6-4-13)25(22,23)20-9-7-14(8-10-20)19-17(21)11-15(12-18)24-2;/h3-6,14-15H,7-12,18H2,1-2H3,(H,19,21);1H
InChIKeyFEPNJQQQTLPBJN-UHFFFAOYSA-N
XLogP1.05
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.95
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-3-methoxy-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]propanamide
CID 120984521
4-(methylamino)-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]butanamide;hydrochloride
CID 119699481
2-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]propanamide
CID 18143240
2-amino-3-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pentanamide
CID 119699508
methyl (2R)-2-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]amino]propanoate
CID 129352639
4-amino-3-methoxy-N-(1-methylpiperidin-4-yl)butanamide
CID 103154332
1-methyl-3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]urea
CID 53497979
2-(1-adamantyl)-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetamide
CID 108559969
benzyl N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbamate
CID 162415610
N-(1-amino-2-methylpropan-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
CID 119522881
2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetamide
CID 108560767
2-methoxy-N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]acetamide
CID 108562538

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]butanamide;hydrochloride?
The IUPAC name of 4-amino-3-methoxy-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]butanamide;hydrochloride (CID 120587685) is 4-amino-3-methoxy-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]butanamide;hydrochloride.
What is the SMILES notation for 4-amino-3-methoxy-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]butanamide;hydrochloride?
The canonical SMILES for 4-amino-3-methoxy-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]butanamide;hydrochloride is COC(CN)CC(=O)NC1CCN(S(=O)(=O)c2ccc(C)cc2)CC1.Cl.
What is the InChIKey of 4-amino-3-methoxy-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]butanamide;hydrochloride?
The InChIKey is FEPNJQQQTLPBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O4S.ClH/c1-13-3-5-16(6-4-13)25(22,23)20-9-7-14(8-10-20)19-17(21)11-15(12-18)24-2;/h3-6,14-15H,7-12,18H2,1-2H3,(H,19,21);1H.
What are the key properties of 4-amino-3-methoxy-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]butanamide;hydrochloride?
4-amino-3-methoxy-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]butanamide;hydrochloride has a molecular weight of 405.95 g/mol, XLogP of 1.05, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]butanamide;hydrochloride is sourced from PubChem (CID 120587685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).