(4-methylpiperazin-1-yl)-[(3R)-1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidin-3-yl]methanone

C21H31N5O4S2 — CID 93068367

IUPAC(4-methylpiperazin-1-yl)-[(3R)-1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidin-3-yl]methanone
SMILESCc1sc(-c2noc(C(C)C)n2)cc1S(=O)(=O)N1CCC[C@@H](C(=O)N2CCN(C)CC2)C1
InChIInChI=1S/C21H31N5O4S2/c1-14(2)20-22-19(23-30-20)17-12-18(15(3)31-17)32(28,29)26-7-5-6-16(13-26)21(27)25-10-8-24(4)9-11-25/h12,14,16H,5-11,13H2,1-4H3/t16-/m1/s1
InChIKeyRVJMQGCRPYKADM-MRXNPFEDSA-N
MW481.64 g/mol
LogP2.40
Rot. Bonds5

About (4-methylpiperazin-1-yl)-[(3R)-1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidin-3-yl]methanone

(4-methylpiperazin-1-yl)-[(3R)-1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidin-3-yl]methanone (PubChem CID 93068367) has the molecular formula C21H31N5O4S2 and a molecular weight of 481.64 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-[(3R)-1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidin-3-yl]methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-[(3R)-1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidin-3-yl]methanone
PubChem CID93068367
Molecular FormulaC21H31N5O4S2
Molecular Weight481.64 g/mol
Exact Mass481.18
IUPAC Name(4-methylpiperazin-1-yl)-[(3R)-1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidin-3-yl]methanone
SMILESCc1sc(-c2noc(C(C)C)n2)cc1S(=O)(=O)N1CCC[C@@H](C(=O)N2CCN(C)CC2)C1
InChIInChI=1S/C21H31N5O4S2/c1-14(2)20-22-19(23-30-20)17-12-18(15(3)31-17)32(28,29)26-7-5-6-16(13-26)21(27)25-10-8-24(4)9-11-25/h12,14,16H,5-11,13H2,1-4H3/t16-/m1/s1
InChIKeyRVJMQGCRPYKADM-MRXNPFEDSA-N
XLogP2.40
TPSA99.85 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.64
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (4-methylpiperazin-1-yl)-[(3R)-1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidin-3-yl]methanone with MolForge

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Related Compounds

(4-methylpiperazin-1-yl)-[1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidin-3-yl]methanone
CID 53007070
[(3S)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 93075348
(4-methylpiperidin-1-yl)-[1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidin-4-yl]methanone
CID 53007020
azepan-1-yl-[1-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidin-3-yl]methanone
CID 53078696
[(3R)-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidin-3-yl]-piperidin-1-ylmethanone
CID 93058356
N-(3-methylphenyl)-1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-3-carboxamide
CID 53042473
(3S)-N-(2,3-dimethylphenyl)-1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-3-carboxamide
CID 93075625
(3S)-N-(2,4-dimethylphenyl)-1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-3-carboxamide
CID 93075643
(3R)-N-(3-methylphenyl)-1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-3-carboxamide
CID 93075516
(3S)-N-(2-ethylphenyl)-1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-3-carboxamide
CID 93075629
N-(3-fluorophenyl)-1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-3-carboxamide
CID 53042469
[1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone
CID 53007067

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-[(3R)-1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidin-3-yl]methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-[(3R)-1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidin-3-yl]methanone (CID 93068367) is (4-methylpiperazin-1-yl)-[(3R)-1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidin-3-yl]methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-[(3R)-1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidin-3-yl]methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-[(3R)-1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidin-3-yl]methanone is Cc1sc(-c2noc(C(C)C)n2)cc1S(=O)(=O)N1CCC[C@@H](C(=O)N2CCN(C)CC2)C1.
What is the InChIKey of (4-methylpiperazin-1-yl)-[(3R)-1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidin-3-yl]methanone?
The InChIKey is RVJMQGCRPYKADM-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H31N5O4S2/c1-14(2)20-22-19(23-30-20)17-12-18(15(3)31-17)32(28,29)26-7-5-6-16(13-26)21(27)25-10-8-24(4)9-11-25/h12,14,16H,5-11,13H2,1-4H3/t16-/m1/s1.
What are the key properties of (4-methylpiperazin-1-yl)-[(3R)-1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidin-3-yl]methanone?
(4-methylpiperazin-1-yl)-[(3R)-1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidin-3-yl]methanone has a molecular weight of 481.64 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-[(3R)-1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidin-3-yl]methanone is sourced from PubChem (CID 93068367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).