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

C22H23N3O2S2 — CID 20973350

IUPAC1-(2-methylbenzoyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
SMILESCc1ccccc1C(=O)N1CCC(C(=O)NCc2csc(-c3cccs3)n2)CC1
InChIInChI=1S/C22H23N3O2S2/c1-15-5-2-3-6-18(15)22(27)25-10-8-16(9-11-25)20(26)23-13-17-14-29-21(24-17)19-7-4-12-28-19/h2-7,12,14,16H,8-11,13H2,1H3,(H,23,26)
InChIKeyFLYWXXOOPNLJGU-UHFFFAOYSA-N
MW425.58 g/mol
LogP4.35
Rot. Bonds5

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

1-(2-methylbenzoyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide (PubChem CID 20973350) has the molecular formula C22H23N3O2S2 and a molecular weight of 425.58 g/mol. Its IUPAC name is 1-(2-methylbenzoyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-methylbenzoyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
PubChem CID20973350
Molecular FormulaC22H23N3O2S2
Molecular Weight425.58 g/mol
Exact Mass425.12
IUPAC Name1-(2-methylbenzoyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
SMILESCc1ccccc1C(=O)N1CCC(C(=O)NCc2csc(-c3cccs3)n2)CC1
InChIInChI=1S/C22H23N3O2S2/c1-15-5-2-3-6-18(15)22(27)25-10-8-16(9-11-25)20(26)23-13-17-14-29-21(24-17)19-7-4-12-28-19/h2-7,12,14,16H,8-11,13H2,1H3,(H,23,26)
InChIKeyFLYWXXOOPNLJGU-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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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylbenzoyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(2-methylbenzoyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide (CID 20973350) is 1-(2-methylbenzoyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-methylbenzoyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2-methylbenzoyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide is Cc1ccccc1C(=O)N1CCC(C(=O)NCc2csc(-c3cccs3)n2)CC1.
What is the InChIKey of 1-(2-methylbenzoyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide?
The InChIKey is FLYWXXOOPNLJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2S2/c1-15-5-2-3-6-18(15)22(27)25-10-8-16(9-11-25)20(26)23-13-17-14-29-21(24-17)19-7-4-12-28-19/h2-7,12,14,16H,8-11,13H2,1H3,(H,23,26).
What are the key properties of 1-(2-methylbenzoyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide?
1-(2-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-(2-methylbenzoyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 20973350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).