1-(4-bromobenzoyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide

C19H22BrN3O2S — CID 20974814

IUPAC1-(4-bromobenzoyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide
SMILESCc1nc(CCNC(=O)C2CCN(C(=O)c3ccc(Br)cc3)CC2)cs1
InChIInChI=1S/C19H22BrN3O2S/c1-13-22-17(12-26-13)6-9-21-18(24)14-7-10-23(11-8-14)19(25)15-2-4-16(20)5-3-15/h2-5,12,14H,6-11H2,1H3,(H,21,24)
InChIKeyCISAIDQBJWBIMZ-UHFFFAOYSA-N
MW436.38 g/mol
LogP3.43
Rot. Bonds5

About 1-(4-bromobenzoyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide

1-(4-bromobenzoyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide (PubChem CID 20974814) has the molecular formula C19H22BrN3O2S and a molecular weight of 436.38 g/mol. Its IUPAC name is 1-(4-bromobenzoyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-bromobenzoyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide
PubChem CID20974814
Molecular FormulaC19H22BrN3O2S
Molecular Weight436.38 g/mol
Exact Mass435.06
IUPAC Name1-(4-bromobenzoyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide
SMILESCc1nc(CCNC(=O)C2CCN(C(=O)c3ccc(Br)cc3)CC2)cs1
InChIInChI=1S/C19H22BrN3O2S/c1-13-22-17(12-26-13)6-9-21-18(24)14-7-10-23(11-8-14)19(25)15-2-4-16(20)5-3-15/h2-5,12,14H,6-11H2,1H3,(H,21,24)
InChIKeyCISAIDQBJWBIMZ-UHFFFAOYSA-N
XLogP3.43
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.38
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromobenzoyl)-N-(2-pyridin-2-ylethyl)piperidine-4-carboxamide
CID 29352994
1-(4-bromobenzoyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 27770344
1-(4-bromobenzoyl)-N-(2-phenylethyl)piperidine-4-carboxamide
CID 27670954
4-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 106041455
N-methyl-1-[4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoyl]piperidine-4-carboxamide
CID 55520181
N-[2-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]cyclobutanecarboxamide
CID 71841887
N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 56585989
N-[2-[2-(1-benzoylpiperidin-4-yl)-1,3-thiazol-4-yl]ethyl]cyclobutanecarboxamide
CID 53149524
1-(3-bromobenzoyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide
CID 75554507
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
CID 33263319
N-(4-methyl-1,3-thiazol-2-yl)-1-[4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoyl]piperidine-4-carboxamide
CID 55952538
methyl 1-[N'-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]carbamimidoyl]piperidine-4-carboxylate
CID 111254173

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromobenzoyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(4-bromobenzoyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide (CID 20974814) is 1-(4-bromobenzoyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-bromobenzoyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(4-bromobenzoyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide is Cc1nc(CCNC(=O)C2CCN(C(=O)c3ccc(Br)cc3)CC2)cs1.
What is the InChIKey of 1-(4-bromobenzoyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide?
The InChIKey is CISAIDQBJWBIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrN3O2S/c1-13-22-17(12-26-13)6-9-21-18(24)14-7-10-23(11-8-14)19(25)15-2-4-16(20)5-3-15/h2-5,12,14H,6-11H2,1H3,(H,21,24).
What are the key properties of 1-(4-bromobenzoyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide?
1-(4-bromobenzoyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide has a molecular weight of 436.38 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromobenzoyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 20974814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).