3-(4-aminopiperidin-1-yl)sulfonyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide

C16H21N5O4S — CID 77092552

IUPAC3-(4-aminopiperidin-1-yl)sulfonyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
SMILESCc1nc(CNC(=O)c2cccc(S(=O)(=O)N3CCC(N)CC3)c2)no1
InChIInChI=1S/C16H21N5O4S/c1-11-19-15(20-25-11)10-18-16(22)12-3-2-4-14(9-12)26(23,24)21-7-5-13(17)6-8-21/h2-4,9,13H,5-8,10,17H2,1H3,(H,18,22)
InChIKeyFAIYFQWSFXQGRW-UHFFFAOYSA-N
MW379.44 g/mol
LogP0.42
Rot. Bonds5

About 3-(4-aminopiperidin-1-yl)sulfonyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide

3-(4-aminopiperidin-1-yl)sulfonyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide (PubChem CID 77092552) has the molecular formula C16H21N5O4S and a molecular weight of 379.44 g/mol. Its IUPAC name is 3-(4-aminopiperidin-1-yl)sulfonyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide.

Molecular Properties

Compound Name3-(4-aminopiperidin-1-yl)sulfonyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
PubChem CID77092552
Molecular FormulaC16H21N5O4S
Molecular Weight379.44 g/mol
Exact Mass379.13
IUPAC Name3-(4-aminopiperidin-1-yl)sulfonyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
SMILESCc1nc(CNC(=O)c2cccc(S(=O)(=O)N3CCC(N)CC3)c2)no1
InChIInChI=1S/C16H21N5O4S/c1-11-19-15(20-25-11)10-18-16(22)12-3-2-4-14(9-12)26(23,24)21-7-5-13(17)6-8-21/h2-4,9,13H,5-8,10,17H2,1H3,(H,18,22)
InChIKeyFAIYFQWSFXQGRW-UHFFFAOYSA-N
XLogP0.42
TPSA131.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-(4-aminopiperidin-1-yl)sulfonyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide with MolForge

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Related Compounds

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CID 87043422
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N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-3-piperidin-1-ylsulfonylbenzamide
CID 55622459
3-[(3S)-3-aminopyrrolidin-1-yl]sulfonyl-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 99952603
1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-phenylpiperidine-4-carboxamide
CID 46365849
1-[3-(3-aminopyrrolidin-1-yl)sulfonylphenyl]ethanone
CID 62067980
3-(4-methylpiperidin-1-yl)sulfonyl-N-pentylbenzamide
CID 109063454
N-(5-methyl-1,2-oxazol-3-yl)-3-pyrrolidin-1-ylsulfonylbenzamide
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3-(4-acetylpiperazin-1-yl)sulfonyl-N-benzylbenzamide
CID 7945609
3-morpholin-4-ylsulfonyl-N-(oxolan-2-ylmethyl)benzamide
CID 2963679
3,5-dihydroxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
CID 103892543
N-(2-cyclopentylsulfanylethyl)-3-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 100750646

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminopiperidin-1-yl)sulfonyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide?
The IUPAC name of 3-(4-aminopiperidin-1-yl)sulfonyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide (CID 77092552) is 3-(4-aminopiperidin-1-yl)sulfonyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide.
What is the SMILES notation for 3-(4-aminopiperidin-1-yl)sulfonyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide?
The canonical SMILES for 3-(4-aminopiperidin-1-yl)sulfonyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide is Cc1nc(CNC(=O)c2cccc(S(=O)(=O)N3CCC(N)CC3)c2)no1.
What is the InChIKey of 3-(4-aminopiperidin-1-yl)sulfonyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide?
The InChIKey is FAIYFQWSFXQGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O4S/c1-11-19-15(20-25-11)10-18-16(22)12-3-2-4-14(9-12)26(23,24)21-7-5-13(17)6-8-21/h2-4,9,13H,5-8,10,17H2,1H3,(H,18,22).
What are the key properties of 3-(4-aminopiperidin-1-yl)sulfonyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide?
3-(4-aminopiperidin-1-yl)sulfonyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide has a molecular weight of 379.44 g/mol, XLogP of 0.42, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminopiperidin-1-yl)sulfonyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide is sourced from PubChem (CID 77092552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).