N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-(2-piperidin-4-ylethylamino)acetamide

C21H34N4O3S — CID 17066646

IUPACN-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-(2-piperidin-4-ylethylamino)acetamide
SMILESCC1CCN(S(=O)(=O)c2ccc(NC(=O)CNCCC3CCNCC3)cc2)CC1
InChIInChI=1S/C21H34N4O3S/c1-17-9-14-25(15-10-17)29(27,28)20-4-2-19(3-5-20)24-21(26)16-23-13-8-18-6-11-22-12-7-18/h2-5,17-18,22-23H,6-16H2,1H3,(H,24,26)
InChIKeyVKYRHXXBESMSDC-UHFFFAOYSA-N
MW422.60 g/mol
LogP2.03
Rot. Bonds8

About N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-(2-piperidin-4-ylethylamino)acetamide

N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-(2-piperidin-4-ylethylamino)acetamide (PubChem CID 17066646) has the molecular formula C21H34N4O3S and a molecular weight of 422.60 g/mol. Its IUPAC name is N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-(2-piperidin-4-ylethylamino)acetamide.

Molecular Properties

Compound NameN-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-(2-piperidin-4-ylethylamino)acetamide
PubChem CID17066646
Molecular FormulaC21H34N4O3S
Molecular Weight422.60 g/mol
Exact Mass422.24
IUPAC NameN-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-(2-piperidin-4-ylethylamino)acetamide
SMILESCC1CCN(S(=O)(=O)c2ccc(NC(=O)CNCCC3CCNCC3)cc2)CC1
InChIInChI=1S/C21H34N4O3S/c1-17-9-14-25(15-10-17)29(27,28)20-4-2-19(3-5-20)24-21(26)16-23-13-8-18-6-11-22-12-7-18/h2-5,17-18,22-23H,6-16H2,1H3,(H,24,26)
InChIKeyVKYRHXXBESMSDC-UHFFFAOYSA-N
XLogP2.03
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.60
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis[4-(4-methylpiperidin-1-yl)sulfonylphenyl]hexanediamide
CID 5172520
2-(cyclopentylamino)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 17066641
2-cyano-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 168523258
2-[(3S)-1,1-dioxothiolan-3-yl]-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 9328428
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-(propanoylamino)benzamide
CID 3307989
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]octanamide
CID 4958592
2-(4-fluorophenyl)sulfanyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 9492775
1-(4-methylphenyl)sulfonyl-4-(3-piperidin-4-ylpropyl)piperidine
CID 70037679
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-morpholin-4-ylacetamide
CID 1071220
3-ethoxy-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]propanamide
CID 2976005
2-(3,5-dimethylphenoxy)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 4510832
2-(4-methylpiperazine-1,4-diium-1-yl)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 6971312

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-(2-piperidin-4-ylethylamino)acetamide?
The IUPAC name of N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-(2-piperidin-4-ylethylamino)acetamide (CID 17066646) is N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-(2-piperidin-4-ylethylamino)acetamide.
What is the SMILES notation for N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-(2-piperidin-4-ylethylamino)acetamide?
The canonical SMILES for N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-(2-piperidin-4-ylethylamino)acetamide is CC1CCN(S(=O)(=O)c2ccc(NC(=O)CNCCC3CCNCC3)cc2)CC1.
What is the InChIKey of N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-(2-piperidin-4-ylethylamino)acetamide?
The InChIKey is VKYRHXXBESMSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O3S/c1-17-9-14-25(15-10-17)29(27,28)20-4-2-19(3-5-20)24-21(26)16-23-13-8-18-6-11-22-12-7-18/h2-5,17-18,22-23H,6-16H2,1H3,(H,24,26).
What are the key properties of N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-(2-piperidin-4-ylethylamino)acetamide?
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-(2-piperidin-4-ylethylamino)acetamide has a molecular weight of 422.60 g/mol, XLogP of 2.03, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-(2-piperidin-4-ylethylamino)acetamide is sourced from PubChem (CID 17066646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).