N-(5-methyl-1,3-thiazol-2-yl)-1-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)piperidine-4-carboxamide

C20H25N5O6S2 — CID 5221725

IUPACN-(5-methyl-1,3-thiazol-2-yl)-1-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)piperidine-4-carboxamide
SMILESCc1cnc(NC(=O)C2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cc3[N+](=O)[O-])CC2)s1
InChIInChI=1S/C20H25N5O6S2/c1-14-13-21-20(32-14)22-19(26)15-4-6-23(7-5-15)17-3-2-16(12-18(17)25(27)28)33(29,30)24-8-10-31-11-9-24/h2-3,12-13,15H,4-11H2,1H3,(H,21,22,26)
InChIKeyIHOYXNZJDOXXAA-UHFFFAOYSA-N
MW495.58 g/mol
LogP2.24
Rot. Bonds6

About N-(5-methyl-1,3-thiazol-2-yl)-1-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)piperidine-4-carboxamide

N-(5-methyl-1,3-thiazol-2-yl)-1-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)piperidine-4-carboxamide (PubChem CID 5221725) has the molecular formula C20H25N5O6S2 and a molecular weight of 495.58 g/mol. Its IUPAC name is N-(5-methyl-1,3-thiazol-2-yl)-1-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,3-thiazol-2-yl)-1-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)piperidine-4-carboxamide
PubChem CID5221725
Molecular FormulaC20H25N5O6S2
Molecular Weight495.58 g/mol
Exact Mass495.12
IUPAC NameN-(5-methyl-1,3-thiazol-2-yl)-1-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)piperidine-4-carboxamide
SMILESCc1cnc(NC(=O)C2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cc3[N+](=O)[O-])CC2)s1
InChIInChI=1S/C20H25N5O6S2/c1-14-13-21-20(32-14)22-19(26)15-4-6-23(7-5-15)17-3-2-16(12-18(17)25(27)28)33(29,30)24-8-10-31-11-9-24/h2-3,12-13,15H,4-11H2,1H3,(H,21,22,26)
InChIKeyIHOYXNZJDOXXAA-UHFFFAOYSA-N
XLogP2.24
TPSA134.98 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.58
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-fluorophenyl)-1-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)piperidine-4-carboxamide
CID 4242664
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)piperidine-4-carboxamide
CID 3563978
(4-methylpiperidin-1-yl)-[1-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)piperidin-4-yl]methanone
CID 16960891
1-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)-N-pentan-2-ylpiperidine-4-carboxamide
CID 24639365
N-(5-methyl-1,3-thiazol-2-yl)-4-morpholin-4-yl-3-nitrobenzamide
CID 4314491
N-hexyl-1-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)piperidine-4-carboxamide
CID 26264672
1-(3,4-dimethylphenyl)sulfonyl-N-(5-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 8919419
N-(3-morpholin-4-ylsulfonylphenyl)-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 26249655
N-heptan-2-yl-1-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)piperidine-4-carboxamide
CID 42971314
(3R)-N-(5-methyl-1,3-thiazol-2-yl)-1-(4-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 51720837
N-ethyl-1-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitrophenyl]piperidine-4-carboxamide
CID 30869113
N-cyclopropyl-2-[4-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)piperazin-1-yl]propanamide
CID 24587949

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-1-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)piperidine-4-carboxamide?
The IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-1-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)piperidine-4-carboxamide (CID 5221725) is N-(5-methyl-1,3-thiazol-2-yl)-1-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(5-methyl-1,3-thiazol-2-yl)-1-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)piperidine-4-carboxamide?
The canonical SMILES for N-(5-methyl-1,3-thiazol-2-yl)-1-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)piperidine-4-carboxamide is Cc1cnc(NC(=O)C2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cc3[N+](=O)[O-])CC2)s1.
What is the InChIKey of N-(5-methyl-1,3-thiazol-2-yl)-1-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)piperidine-4-carboxamide?
The InChIKey is IHOYXNZJDOXXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O6S2/c1-14-13-21-20(32-14)22-19(26)15-4-6-23(7-5-15)17-3-2-16(12-18(17)25(27)28)33(29,30)24-8-10-31-11-9-24/h2-3,12-13,15H,4-11H2,1H3,(H,21,22,26).
What are the key properties of N-(5-methyl-1,3-thiazol-2-yl)-1-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)piperidine-4-carboxamide?
N-(5-methyl-1,3-thiazol-2-yl)-1-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)piperidine-4-carboxamide has a molecular weight of 495.58 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3-thiazol-2-yl)-1-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)piperidine-4-carboxamide is sourced from PubChem (CID 5221725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).