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

C22H23N3O2S2 — CID 20973351

IUPAC1-(3-methylbenzoyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
SMILESCc1cccc(C(=O)N2CCC(C(=O)NCc3csc(-c4cccs4)n3)CC2)c1
InChIInChI=1S/C22H23N3O2S2/c1-15-4-2-5-17(12-15)22(27)25-9-7-16(8-10-25)20(26)23-13-18-14-29-21(24-18)19-6-3-11-28-19/h2-6,11-12,14,16H,7-10,13H2,1H3,(H,23,26)
InChIKeyKIYAQXWRFGCKBT-UHFFFAOYSA-N
MW425.58 g/mol
LogP4.35
Rot. Bonds5

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

1-(3-methylbenzoyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide (PubChem CID 20973351) has the molecular formula C22H23N3O2S2 and a molecular weight of 425.58 g/mol. Its IUPAC name is 1-(3-methylbenzoyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-methylbenzoyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
PubChem CID20973351
Molecular FormulaC22H23N3O2S2
Molecular Weight425.58 g/mol
Exact Mass425.12
IUPAC Name1-(3-methylbenzoyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
SMILESCc1cccc(C(=O)N2CCC(C(=O)NCc3csc(-c4cccs4)n3)CC2)c1
InChIInChI=1S/C22H23N3O2S2/c1-15-4-2-5-17(12-15)22(27)25-9-7-16(8-10-25)20(26)23-13-18-14-29-21(24-18)19-6-3-11-28-19/h2-6,11-12,14,16H,7-10,13H2,1H3,(H,23,26)
InChIKeyKIYAQXWRFGCKBT-UHFFFAOYSA-N
XLogP4.35
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.58
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,4-difluorobenzoyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 20973358
1-(3-fluorobenzoyl)-N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide
CID 46390060
N-[[2-[1-(3-methylbenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]cyclobutanecarboxamide
CID 71842151
1-(furan-2-carbonyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 20973347
1-methylsulfonyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 20973415
1-(3-methylbenzoyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 113004430
N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]cyclohexanecarboxamide
CID 2738811
1-[2-(3-fluorophenyl)acetyl]-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 20973356
1-[2-(4-fluorophenyl)acetyl]-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 20973346
N-[(3-methylphenyl)methyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 43928874
(4S)-3-(4-methylbenzoyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide
CID 20973637
N-prop-2-ynyl-1-(4-thiophen-2-ylbenzoyl)piperidine-4-carboxamide
CID 134801349

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbenzoyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(3-methylbenzoyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide (CID 20973351) is 1-(3-methylbenzoyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(3-methylbenzoyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(3-methylbenzoyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide is Cc1cccc(C(=O)N2CCC(C(=O)NCc3csc(-c4cccs4)n3)CC2)c1.
What is the InChIKey of 1-(3-methylbenzoyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide?
The InChIKey is KIYAQXWRFGCKBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2S2/c1-15-4-2-5-17(12-15)22(27)25-9-7-16(8-10-25)20(26)23-13-18-14-29-21(24-18)19-6-3-11-28-19/h2-6,11-12,14,16H,7-10,13H2,1H3,(H,23,26).
What are the key properties of 1-(3-methylbenzoyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide?
1-(3-methylbenzoyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide has a molecular weight of 425.58 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbenzoyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 20973351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).