N-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide

C28H36N6O4S — CID 43926956

IUPACN-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
SMILESCc1ccc(-c2noc(CN3CCC(C(=O)Nc4ccc(C)c(S(=O)(=O)N5CCN(C)CC5)c4)CC3)n2)cc1
InChIInChI=1S/C28H36N6O4S/c1-20-4-7-22(8-5-20)27-30-26(38-31-27)19-33-12-10-23(11-13-33)28(35)29-24-9-6-21(2)25(18-24)39(36,37)34-16-14-32(3)15-17-34/h4-9,18,23H,10-17,19H2,1-3H3,(H,29,35)
InChIKeyYVERVHWONVDGLK-UHFFFAOYSA-N
MW552.70 g/mol
LogP3.14
Rot. Bonds7

About N-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide

N-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide (PubChem CID 43926956) has the molecular formula C28H36N6O4S and a molecular weight of 552.70 g/mol. Its IUPAC name is N-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
PubChem CID43926956
Molecular FormulaC28H36N6O4S
Molecular Weight552.70 g/mol
Exact Mass552.25
IUPAC NameN-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
SMILESCc1ccc(-c2noc(CN3CCC(C(=O)Nc4ccc(C)c(S(=O)(=O)N5CCN(C)CC5)c4)CC3)n2)cc1
InChIInChI=1S/C28H36N6O4S/c1-20-4-7-22(8-5-20)27-30-26(38-31-27)19-33-12-10-23(11-13-33)28(35)29-24-9-6-21(2)25(18-24)39(36,37)34-16-14-32(3)15-17-34/h4-9,18,23H,10-17,19H2,1-3H3,(H,29,35)
InChIKeyYVERVHWONVDGLK-UHFFFAOYSA-N
XLogP3.14
TPSA111.88 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500552.70
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)piperidine-3-carboxamide
CID 43933078
N-(3-methylphenyl)-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38141561
1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)piperidine-4-carboxamide
CID 43928125
1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)piperidine-4-carboxamide
CID 43927813
N-(3-chloro-4-methylphenyl)-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38148617
1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-phenylpiperidine-4-carboxamide
CID 26674950
N-(3,4-dimethylphenyl)-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38148372
N-(3-chlorophenyl)-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38141601
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 24501895
N-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43935194
1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]piperidine-4-carboxamide
CID 38145370
1-methyl-N-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)piperidine-4-carboxamide
CID 50875261

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide?
The IUPAC name of N-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide (CID 43926956) is N-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide?
The canonical SMILES for N-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide is Cc1ccc(-c2noc(CN3CCC(C(=O)Nc4ccc(C)c(S(=O)(=O)N5CCN(C)CC5)c4)CC3)n2)cc1.
What is the InChIKey of N-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide?
The InChIKey is YVERVHWONVDGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N6O4S/c1-20-4-7-22(8-5-20)27-30-26(38-31-27)19-33-12-10-23(11-13-33)28(35)29-24-9-6-21(2)25(18-24)39(36,37)34-16-14-32(3)15-17-34/h4-9,18,23H,10-17,19H2,1-3H3,(H,29,35).
What are the key properties of N-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide?
N-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide has a molecular weight of 552.70 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 43926956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).