N-[(3-amino-5-methyl-1,2-oxazol-4-yl)sulfonyl]-1-(4-chlorobenzoyl)piperidine-4-carboxamide;2,2,2-trifluoroacetic acid

C19H20ClF3N4O7S — CID 166213060

IUPACN-[(3-amino-5-methyl-1,2-oxazol-4-yl)sulfonyl]-1-(4-chlorobenzoyl)piperidine-4-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1onc(N)c1S(=O)(=O)NC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H19ClN4O5S.C2HF3O2/c1-10-14(15(19)20-27-10)28(25,26)21-16(23)11-6-8-22(9-7-11)17(24)12-2-4-13(18)5-3-12;3-2(4,5)1(6)7/h2-5,11H,6-9H2,1H3,(H2,19,20)(H,21,23);(H,6,7)
InChIKeyUOEDDUMWSSXSRC-UHFFFAOYSA-N
MW540.90 g/mol
LogP2.21
Rot. Bonds4

About N-[(3-amino-5-methyl-1,2-oxazol-4-yl)sulfonyl]-1-(4-chlorobenzoyl)piperidine-4-carboxamide;2,2,2-trifluoroacetic acid

N-[(3-amino-5-methyl-1,2-oxazol-4-yl)sulfonyl]-1-(4-chlorobenzoyl)piperidine-4-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 166213060) has the molecular formula C19H20ClF3N4O7S and a molecular weight of 540.90 g/mol. Its IUPAC name is N-[(3-amino-5-methyl-1,2-oxazol-4-yl)sulfonyl]-1-(4-chlorobenzoyl)piperidine-4-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[(3-amino-5-methyl-1,2-oxazol-4-yl)sulfonyl]-1-(4-chlorobenzoyl)piperidine-4-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID166213060
Molecular FormulaC19H20ClF3N4O7S
Molecular Weight540.90 g/mol
Exact Mass540.07
IUPAC NameN-[(3-amino-5-methyl-1,2-oxazol-4-yl)sulfonyl]-1-(4-chlorobenzoyl)piperidine-4-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1onc(N)c1S(=O)(=O)NC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H19ClN4O5S.C2HF3O2/c1-10-14(15(19)20-27-10)28(25,26)21-16(23)11-6-8-22(9-7-11)17(24)12-2-4-13(18)5-3-12;3-2(4,5)1(6)7/h2-5,11H,6-9H2,1H3,(H2,19,20)(H,21,23);(H,6,7)
InChIKeyUOEDDUMWSSXSRC-UHFFFAOYSA-N
XLogP2.21
TPSA172.90 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.90
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

1-(4-chlorobenzoyl)-N-cyclopropylpiperidine-4-carboxamide
CID 1072789
1-(4-chlorobenzoyl)-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 7961983
N-(4-chloro-2-methylphenyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 41171917
N-cyclopentyl-1-[4-[(4-methylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 146062956
1-(4-chlorobenzoyl)-N-(2-hydroxy-4-methylphenyl)piperidine-4-carboxamide
CID 9495612
1-(4-chlorobenzoyl)-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]piperidine-4-carboxamide
CID 126011043
1-(4-chlorobenzoyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 24980605
1-(4-chlorobenzoyl)-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 1326341
N-(4-bromo-2-methylphenyl)-1-(4-chlorobenzoyl)piperidine-4-carboxamide
CID 17119229
[1-(4-chlorobenzoyl)piperidin-4-yl]carbamic acid
CID 154188443
(4-chlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 83728657
N-[1-(4-methoxybenzoyl)piperidin-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 108563474

Frequently Asked Questions

What is the IUPAC name of N-[(3-amino-5-methyl-1,2-oxazol-4-yl)sulfonyl]-1-(4-chlorobenzoyl)piperidine-4-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[(3-amino-5-methyl-1,2-oxazol-4-yl)sulfonyl]-1-(4-chlorobenzoyl)piperidine-4-carboxamide;2,2,2-trifluoroacetic acid (CID 166213060) is N-[(3-amino-5-methyl-1,2-oxazol-4-yl)sulfonyl]-1-(4-chlorobenzoyl)piperidine-4-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[(3-amino-5-methyl-1,2-oxazol-4-yl)sulfonyl]-1-(4-chlorobenzoyl)piperidine-4-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[(3-amino-5-methyl-1,2-oxazol-4-yl)sulfonyl]-1-(4-chlorobenzoyl)piperidine-4-carboxamide;2,2,2-trifluoroacetic acid is Cc1onc(N)c1S(=O)(=O)NC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1.O=C(O)C(F)(F)F.
What is the InChIKey of N-[(3-amino-5-methyl-1,2-oxazol-4-yl)sulfonyl]-1-(4-chlorobenzoyl)piperidine-4-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is UOEDDUMWSSXSRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O5S.C2HF3O2/c1-10-14(15(19)20-27-10)28(25,26)21-16(23)11-6-8-22(9-7-11)17(24)12-2-4-13(18)5-3-12;3-2(4,5)1(6)7/h2-5,11H,6-9H2,1H3,(H2,19,20)(H,21,23);(H,6,7).
What are the key properties of N-[(3-amino-5-methyl-1,2-oxazol-4-yl)sulfonyl]-1-(4-chlorobenzoyl)piperidine-4-carboxamide;2,2,2-trifluoroacetic acid?
N-[(3-amino-5-methyl-1,2-oxazol-4-yl)sulfonyl]-1-(4-chlorobenzoyl)piperidine-4-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 540.90 g/mol, XLogP of 2.21, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-amino-5-methyl-1,2-oxazol-4-yl)sulfonyl]-1-(4-chlorobenzoyl)piperidine-4-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 166213060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).