4-acetyl-N-hydroxy-1-[4-(6-methyl-1H-indol-3-yl)piperidin-1-yl]sulfonylpiperidine-2-carboxamide

C22H30N4O5S — CID 139983355

IUPAC4-acetyl-N-hydroxy-1-[4-(6-methyl-1H-indol-3-yl)piperidin-1-yl]sulfonylpiperidine-2-carboxamide
SMILESCC(=O)C1CCN(S(=O)(=O)N2CCC(c3c[nH]c4cc(C)ccc34)CC2)C(C(=O)NO)C1
InChIInChI=1S/C22H30N4O5S/c1-14-3-4-18-19(13-23-20(18)11-14)16-5-8-25(9-6-16)32(30,31)26-10-7-17(15(2)27)12-21(26)22(28)24-29/h3-4,11,13,16-17,21,23,29H,5-10,12H2,1-2H3,(H,24,28)
InChIKeyTUXBXUPPGLGFDS-UHFFFAOYSA-N
MW462.57 g/mol
LogP2.08
Rot. Bonds5

About 4-acetyl-N-hydroxy-1-[4-(6-methyl-1H-indol-3-yl)piperidin-1-yl]sulfonylpiperidine-2-carboxamide

4-acetyl-N-hydroxy-1-[4-(6-methyl-1H-indol-3-yl)piperidin-1-yl]sulfonylpiperidine-2-carboxamide (PubChem CID 139983355) has the molecular formula C22H30N4O5S and a molecular weight of 462.57 g/mol. Its IUPAC name is 4-acetyl-N-hydroxy-1-[4-(6-methyl-1H-indol-3-yl)piperidin-1-yl]sulfonylpiperidine-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-hydroxy-1-[4-(6-methyl-1H-indol-3-yl)piperidin-1-yl]sulfonylpiperidine-2-carboxamide
PubChem CID139983355
Molecular FormulaC22H30N4O5S
Molecular Weight462.57 g/mol
Exact Mass462.19
IUPAC Name4-acetyl-N-hydroxy-1-[4-(6-methyl-1H-indol-3-yl)piperidin-1-yl]sulfonylpiperidine-2-carboxamide
SMILESCC(=O)C1CCN(S(=O)(=O)N2CCC(c3c[nH]c4cc(C)ccc34)CC2)C(C(=O)NO)C1
InChIInChI=1S/C22H30N4O5S/c1-14-3-4-18-19(13-23-20(18)11-14)16-5-8-25(9-6-16)32(30,31)26-10-7-17(15(2)27)12-21(26)22(28)24-29/h3-4,11,13,16-17,21,23,29H,5-10,12H2,1-2H3,(H,24,28)
InChIKeyTUXBXUPPGLGFDS-UHFFFAOYSA-N
XLogP2.08
TPSA122.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.57
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-4-(cyclopropylmethyl)-1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]sulfonyl-N-hydroxypiperazine-2-carboxamide
CID 18727261
4-(cyclopropylmethyl)-1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]sulfonyl-N-hydroxypiperazine-2-carboxamide
CID 15486975
4-(6-methyl-1H-indol-3-yl)piperidin-1-amine
CID 90932257
1-[4-[6-(methylamino)-1H-indol-3-yl]piperidin-1-yl]ethanone
CID 163684604
6-fluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole
CID 97064531
ethane;1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone
CID 145286856
(2R)-N-(2-bromo-4-methylphenyl)-2-[4-(1H-indol-3-yl)piperidin-1-yl]propanamide
CID 41414954
methyl-methylidene-oxo-[4-[6-(trifluoromethyl)-1H-indol-3-yl]piperidin-1-yl]-λ6-sulfane
CID 159505276
3-cyclopropyl-7-methyl-1H-quinolin-4-one
CID 156532948
1-[4-[(6-methyl-1H-indol-3-yl)methyl]piperidin-1-yl]ethanone
CID 146409555
(2R)-1-[4-(4-fluorophenyl)piperidin-1-yl]sulfonyl-N-hydroxy-4-morpholin-4-ylsulfonylpiperazine-2-carboxamide
CID 18727150
6-fluoro-3-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]-1H-indole
CID 113087664

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-hydroxy-1-[4-(6-methyl-1H-indol-3-yl)piperidin-1-yl]sulfonylpiperidine-2-carboxamide?
The IUPAC name of 4-acetyl-N-hydroxy-1-[4-(6-methyl-1H-indol-3-yl)piperidin-1-yl]sulfonylpiperidine-2-carboxamide (CID 139983355) is 4-acetyl-N-hydroxy-1-[4-(6-methyl-1H-indol-3-yl)piperidin-1-yl]sulfonylpiperidine-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-hydroxy-1-[4-(6-methyl-1H-indol-3-yl)piperidin-1-yl]sulfonylpiperidine-2-carboxamide?
The canonical SMILES for 4-acetyl-N-hydroxy-1-[4-(6-methyl-1H-indol-3-yl)piperidin-1-yl]sulfonylpiperidine-2-carboxamide is CC(=O)C1CCN(S(=O)(=O)N2CCC(c3c[nH]c4cc(C)ccc34)CC2)C(C(=O)NO)C1.
What is the InChIKey of 4-acetyl-N-hydroxy-1-[4-(6-methyl-1H-indol-3-yl)piperidin-1-yl]sulfonylpiperidine-2-carboxamide?
The InChIKey is TUXBXUPPGLGFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O5S/c1-14-3-4-18-19(13-23-20(18)11-14)16-5-8-25(9-6-16)32(30,31)26-10-7-17(15(2)27)12-21(26)22(28)24-29/h3-4,11,13,16-17,21,23,29H,5-10,12H2,1-2H3,(H,24,28).
What are the key properties of 4-acetyl-N-hydroxy-1-[4-(6-methyl-1H-indol-3-yl)piperidin-1-yl]sulfonylpiperidine-2-carboxamide?
4-acetyl-N-hydroxy-1-[4-(6-methyl-1H-indol-3-yl)piperidin-1-yl]sulfonylpiperidine-2-carboxamide has a molecular weight of 462.57 g/mol, XLogP of 2.08, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-hydroxy-1-[4-(6-methyl-1H-indol-3-yl)piperidin-1-yl]sulfonylpiperidine-2-carboxamide is sourced from PubChem (CID 139983355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).