4-amino-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pentanamide

C17H27N3O4S — CID 120558840

IUPAC4-amino-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pentanamide
SMILESCOc1ccc(NC(=O)CCC(C)N)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C17H27N3O4S/c1-13(18)6-9-17(21)19-14-7-8-15(24-2)16(12-14)25(22,23)20-10-4-3-5-11-20/h7-8,12-13H,3-6,9-11,18H2,1-2H3,(H,19,21)
InChIKeyOQTQSNCKCBAMSP-UHFFFAOYSA-N
MW369.49 g/mol
LogP1.94
Rot. Bonds7

About 4-amino-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pentanamide

4-amino-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pentanamide (PubChem CID 120558840) has the molecular formula C17H27N3O4S and a molecular weight of 369.49 g/mol. Its IUPAC name is 4-amino-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pentanamide.

Molecular Properties

Compound Name4-amino-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pentanamide
PubChem CID120558840
Molecular FormulaC17H27N3O4S
Molecular Weight369.49 g/mol
Exact Mass369.17
IUPAC Name4-amino-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pentanamide
SMILESCOc1ccc(NC(=O)CCC(C)N)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C17H27N3O4S/c1-13(18)6-9-17(21)19-14-7-8-15(24-2)16(12-14)25(22,23)20-10-4-3-5-11-20/h7-8,12-13H,3-6,9-11,18H2,1-2H3,(H,19,21)
InChIKeyOQTQSNCKCBAMSP-UHFFFAOYSA-N
XLogP1.94
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)pentanamide
CID 120559201
4-amino-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)pentanamide;hydrochloride
CID 120562885
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide
CID 26851836
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-(methylamino)acetamide
CID 119677452
3-(3,5-dimethoxyphenyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide
CID 26588789
3-(4-chlorophenyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide
CID 25437805
2-(2-methoxyphenyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 4800928
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-pyrrolidin-1-ium-1-ylacetamide
CID 8902019
3-(2,3-dichlorophenyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide
CID 38905184
2-(3,5-dimethylpiperidin-1-yl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 42999312
2-(2-methoxyethylamino)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide;hydrochloride
CID 119677471
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-[(3R)-3-methylpiperidin-1-yl]acetamide
CID 8903716

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pentanamide?
The IUPAC name of 4-amino-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pentanamide (CID 120558840) is 4-amino-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pentanamide.
What is the SMILES notation for 4-amino-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pentanamide?
The canonical SMILES for 4-amino-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pentanamide is COc1ccc(NC(=O)CCC(C)N)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of 4-amino-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pentanamide?
The InChIKey is OQTQSNCKCBAMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O4S/c1-13(18)6-9-17(21)19-14-7-8-15(24-2)16(12-14)25(22,23)20-10-4-3-5-11-20/h7-8,12-13H,3-6,9-11,18H2,1-2H3,(H,19,21).
What are the key properties of 4-amino-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pentanamide?
4-amino-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pentanamide has a molecular weight of 369.49 g/mol, XLogP of 1.94, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pentanamide is sourced from PubChem (CID 120558840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).