N-(4-sulfamoylphenyl)-1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidine-4-carboxamide

C21H29N5O4S — CID 41446314

IUPACN-(4-sulfamoylphenyl)-1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidine-4-carboxamide
SMILESCc1nn(C)c(C)c1CCC(=O)N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1
InChIInChI=1S/C21H29N5O4S/c1-14-19(15(2)25(3)24-14)8-9-20(27)26-12-10-16(11-13-26)21(28)23-17-4-6-18(7-5-17)31(22,29)30/h4-7,16H,8-13H2,1-3H3,(H,23,28)(H2,22,29,30)
InChIKeyNGSDOEMVJLXJQU-UHFFFAOYSA-N
MW447.56 g/mol
LogP1.49
Rot. Bonds6

About N-(4-sulfamoylphenyl)-1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidine-4-carboxamide

N-(4-sulfamoylphenyl)-1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidine-4-carboxamide (PubChem CID 41446314) has the molecular formula C21H29N5O4S and a molecular weight of 447.56 g/mol. Its IUPAC name is N-(4-sulfamoylphenyl)-1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-sulfamoylphenyl)-1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidine-4-carboxamide
PubChem CID41446314
Molecular FormulaC21H29N5O4S
Molecular Weight447.56 g/mol
Exact Mass447.19
IUPAC NameN-(4-sulfamoylphenyl)-1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidine-4-carboxamide
SMILESCc1nn(C)c(C)c1CCC(=O)N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1
InChIInChI=1S/C21H29N5O4S/c1-14-19(15(2)25(3)24-14)8-9-20(27)26-12-10-16(11-13-26)21(28)23-17-4-6-18(7-5-17)31(22,29)30/h4-7,16H,8-13H2,1-3H3,(H,23,28)(H2,22,29,30)
InChIKeyNGSDOEMVJLXJQU-UHFFFAOYSA-N
XLogP1.49
TPSA127.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidine-4-carboxylate
CID 71688982
1-(4-hydroxypiperidin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 43416095
1-[3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)propanoyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
CID 47009647
1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]pyrrolidine-3-carboxylic acid
CID 63032850
N-(4-methylsulfonylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 51290114
1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 24669751
1-[2-(2-ethylphenoxy)acetyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
CID 55395932
1-[(1S,2R)-2-methylcyclopropanecarbonyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
CID 41308319
1-[(1S,2S)-2-methylcyclopropanecarbonyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
CID 41308321
1-[2-(4-methylanilino)-2-oxoethyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
CID 16909772
1-[3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]-N-phenylpiperidine-4-carboxamide
CID 17392294
4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzenesulfonamide
CID 28614875

Frequently Asked Questions

What is the IUPAC name of N-(4-sulfamoylphenyl)-1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidine-4-carboxamide?
The IUPAC name of N-(4-sulfamoylphenyl)-1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidine-4-carboxamide (CID 41446314) is N-(4-sulfamoylphenyl)-1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(4-sulfamoylphenyl)-1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidine-4-carboxamide?
The canonical SMILES for N-(4-sulfamoylphenyl)-1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidine-4-carboxamide is Cc1nn(C)c(C)c1CCC(=O)N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1.
What is the InChIKey of N-(4-sulfamoylphenyl)-1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidine-4-carboxamide?
The InChIKey is NGSDOEMVJLXJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O4S/c1-14-19(15(2)25(3)24-14)8-9-20(27)26-12-10-16(11-13-26)21(28)23-17-4-6-18(7-5-17)31(22,29)30/h4-7,16H,8-13H2,1-3H3,(H,23,28)(H2,22,29,30).
What are the key properties of N-(4-sulfamoylphenyl)-1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidine-4-carboxamide?
N-(4-sulfamoylphenyl)-1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidine-4-carboxamide has a molecular weight of 447.56 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-sulfamoylphenyl)-1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidine-4-carboxamide is sourced from PubChem (CID 41446314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).