1-N-(3-methylphenyl)-3-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide

C22H23N5O2S — CID 112838340

IUPAC1-N-(3-methylphenyl)-3-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide
SMILESCc1cccc(NC(=O)N2CCCC(C(=O)Nc3nc(-c4ccccn4)cs3)C2)c1
InChIInChI=1S/C22H23N5O2S/c1-15-6-4-8-17(12-15)24-22(29)27-11-5-7-16(13-27)20(28)26-21-25-19(14-30-21)18-9-2-3-10-23-18/h2-4,6,8-10,12,14,16H,5,7,11,13H2,1H3,(H,24,29)(H,25,26,28)
InChIKeyVLLGQEJYOWPOTR-UHFFFAOYSA-N
MW421.53 g/mol
LogP4.40
Rot. Bonds4

About 1-N-(3-methylphenyl)-3-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide

1-N-(3-methylphenyl)-3-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide (PubChem CID 112838340) has the molecular formula C22H23N5O2S and a molecular weight of 421.53 g/mol. Its IUPAC name is 1-N-(3-methylphenyl)-3-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-(3-methylphenyl)-3-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide
PubChem CID112838340
Molecular FormulaC22H23N5O2S
Molecular Weight421.53 g/mol
Exact Mass421.16
IUPAC Name1-N-(3-methylphenyl)-3-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide
SMILESCc1cccc(NC(=O)N2CCCC(C(=O)Nc3nc(-c4ccccn4)cs3)C2)c1
InChIInChI=1S/C22H23N5O2S/c1-15-6-4-8-17(12-15)24-22(29)27-11-5-7-16(13-27)20(28)26-21-25-19(14-30-21)18-9-2-3-10-23-18/h2-4,6,8-10,12,14,16H,5,7,11,13H2,1H3,(H,24,29)(H,25,26,28)
InChIKeyVLLGQEJYOWPOTR-UHFFFAOYSA-N
XLogP4.40
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.53
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methylphenyl)-3-[(pyridine-2-carbonylamino)carbamoyl]piperidine-1-carboxamide
CID 55837238
3-N-(3-acetamidophenyl)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 55817615
3-N-methyl-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 47323838
(3R)-3-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 94155243
(3S)-1-acetyl-N-(3-methylphenyl)piperidine-3-carboxamide
CID 9039260
(3R)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 51458679
3-N-(2-methoxyphenyl)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 55817552
(3R)-1-N-(3-methylphenyl)-3-N-(2-phenoxyphenyl)piperidine-1,3-dicarboxamide
CID 52663493
1-N-(3-methylphenyl)-3-N-(2-phenoxyphenyl)piperidine-1,3-dicarboxamide
CID 56684470
(3S)-3-N-[2-(3-fluorophenoxy)phenyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 97007159
3-N-[2-(methylamino)ethyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide;hydrochloride
CID 119501337
(3S)-1-N,1-N-dimethyl-3-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 94161105

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-methylphenyl)-3-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide?
The IUPAC name of 1-N-(3-methylphenyl)-3-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide (CID 112838340) is 1-N-(3-methylphenyl)-3-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-(3-methylphenyl)-3-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide?
The canonical SMILES for 1-N-(3-methylphenyl)-3-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide is Cc1cccc(NC(=O)N2CCCC(C(=O)Nc3nc(-c4ccccn4)cs3)C2)c1.
What is the InChIKey of 1-N-(3-methylphenyl)-3-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide?
The InChIKey is VLLGQEJYOWPOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2S/c1-15-6-4-8-17(12-15)24-22(29)27-11-5-7-16(13-27)20(28)26-21-25-19(14-30-21)18-9-2-3-10-23-18/h2-4,6,8-10,12,14,16H,5,7,11,13H2,1H3,(H,24,29)(H,25,26,28).
What are the key properties of 1-N-(3-methylphenyl)-3-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide?
1-N-(3-methylphenyl)-3-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide has a molecular weight of 421.53 g/mol, XLogP of 4.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-methylphenyl)-3-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide is sourced from PubChem (CID 112838340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).