N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

C21H30N4O4S — CID 24611970

IUPACN-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCOc1ccc(S(=O)(=O)N2CCC(NC(=O)CCc3c(C)nn(C)c3C)CC2)cc1
InChIInChI=1S/C21H30N4O4S/c1-15-20(16(2)24(3)23-15)9-10-21(26)22-17-11-13-25(14-12-17)30(27,28)19-7-5-18(29-4)6-8-19/h5-8,17H,9-14H2,1-4H3,(H,22,26)
InChIKeyGXOCPRBLPXEQKE-UHFFFAOYSA-N
MW434.56 g/mol
LogP1.95
Rot. Bonds7

About N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 24611970) has the molecular formula C21H30N4O4S and a molecular weight of 434.56 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID24611970
Molecular FormulaC21H30N4O4S
Molecular Weight434.56 g/mol
Exact Mass434.20
IUPAC NameN-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCOc1ccc(S(=O)(=O)N2CCC(NC(=O)CCc3c(C)nn(C)c3C)CC2)cc1
InChIInChI=1S/C21H30N4O4S/c1-15-20(16(2)24(3)23-15)9-10-21(26)22-17-11-13-25(14-12-17)30(27,28)19-7-5-18(29-4)6-8-19/h5-8,17H,9-14H2,1-4H3,(H,22,26)
InChIKeyGXOCPRBLPXEQKE-UHFFFAOYSA-N
XLogP1.95
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.56
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-4-methylpentanamide
CID 25465668
3-(3-chloro-4-methylphenyl)-N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]propanamide
CID 24611977
2-methoxy-N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]acetamide
CID 108562538
N-[bis(4-methoxyphenyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 35091912
N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-3-[(2-phenylacetyl)amino]propanamide
CID 24611994
2-(3,4-dimethylphenoxy)-N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]acetamide
CID 41171859
N-cyclopropyl-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]acetamide
CID 17376128
[2-(cyclopropylamino)-2-oxoethyl] 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate
CID 41049470
N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanamide
CID 24611954
N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 55474079
N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-4-methylsulfonylbenzamide
CID 41171707
N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-sulfanylbenzamide
CID 108561601

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 24611970) is N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is COc1ccc(S(=O)(=O)N2CCC(NC(=O)CCc3c(C)nn(C)c3C)CC2)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is GXOCPRBLPXEQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O4S/c1-15-20(16(2)24(3)23-15)9-10-21(26)22-17-11-13-25(14-12-17)30(27,28)19-7-5-18(29-4)6-8-19/h5-8,17H,9-14H2,1-4H3,(H,22,26).
What are the key properties of N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 434.56 g/mol, XLogP of 1.95, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 24611970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).