N-cyclopropyl-2-[4-[1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]piperazin-1-yl]acetamide

C23H34N4O4S — CID 55389831

IUPACN-cyclopropyl-2-[4-[1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]piperazin-1-yl]acetamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(CC(=O)NC4CC4)CC3)CC2)c(C)c1
InChIInChI=1S/C23H34N4O4S/c1-17-3-6-21(18(2)15-17)32(30,31)27-9-7-19(8-10-27)23(29)26-13-11-25(12-14-26)16-22(28)24-20-4-5-20/h3,6,15,19-20H,4-5,7-14,16H2,1-2H3,(H,24,28)
InChIKeyKYGFGCNKFIFTMI-UHFFFAOYSA-N
MW462.62 g/mol
LogP1.13
Rot. Bonds6

About N-cyclopropyl-2-[4-[1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]piperazin-1-yl]acetamide

N-cyclopropyl-2-[4-[1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]piperazin-1-yl]acetamide (PubChem CID 55389831) has the molecular formula C23H34N4O4S and a molecular weight of 462.62 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-[1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-[1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]piperazin-1-yl]acetamide
PubChem CID55389831
Molecular FormulaC23H34N4O4S
Molecular Weight462.62 g/mol
Exact Mass462.23
IUPAC NameN-cyclopropyl-2-[4-[1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]piperazin-1-yl]acetamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(CC(=O)NC4CC4)CC3)CC2)c(C)c1
InChIInChI=1S/C23H34N4O4S/c1-17-3-6-21(18(2)15-17)32(30,31)27-9-7-19(8-10-27)23(29)26-13-11-25(12-14-26)16-22(28)24-20-4-5-20/h3,6,15,19-20H,4-5,7-14,16H2,1-2H3,(H,24,28)
InChIKeyKYGFGCNKFIFTMI-UHFFFAOYSA-N
XLogP1.13
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.62
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 31951631
[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]methanone
CID 38992038
1-[1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]-N-phenylpiperidine-4-carboxamide
CID 41499726
N-cyclopropyl-2-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 9189833
N-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-4-methylbenzamide
CID 108559242
1,4-diazepan-1-yl-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]methanone;hydrochloride
CID 119415387
2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-prop-2-ynylacetamide
CID 8787857
[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-[2-(4-methylphenyl)pyrrolidin-1-yl]methanone
CID 55551293
[(3R)-3-aminopyrrolidin-1-yl]-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]methanone;hydrochloride
CID 119410392
N-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-3,4-dimethylbenzamide
CID 108562672
N-(4-bromophenyl)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 1178330
N-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-2-(4-ethoxyphenoxy)acetamide
CID 108562193

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-[1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]piperazin-1-yl]acetamide?
The IUPAC name of N-cyclopropyl-2-[4-[1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]piperazin-1-yl]acetamide (CID 55389831) is N-cyclopropyl-2-[4-[1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[4-[1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[4-[1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]piperazin-1-yl]acetamide is Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(CC(=O)NC4CC4)CC3)CC2)c(C)c1.
What is the InChIKey of N-cyclopropyl-2-[4-[1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]piperazin-1-yl]acetamide?
The InChIKey is KYGFGCNKFIFTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O4S/c1-17-3-6-21(18(2)15-17)32(30,31)27-9-7-19(8-10-27)23(29)26-13-11-25(12-14-26)16-22(28)24-20-4-5-20/h3,6,15,19-20H,4-5,7-14,16H2,1-2H3,(H,24,28).
What are the key properties of N-cyclopropyl-2-[4-[1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]piperazin-1-yl]acetamide?
N-cyclopropyl-2-[4-[1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]piperazin-1-yl]acetamide has a molecular weight of 462.62 g/mol, XLogP of 1.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-[1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 55389831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).