(3R)-3-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide

C20H24N4O2S — CID 94155243

IUPAC(3R)-3-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
SMILESCc1cccc(NC(=O)N2CCC[C@@H](C(=O)Nc3nc4c(s3)CCC4)C2)c1
InChIInChI=1S/C20H24N4O2S/c1-13-5-2-7-15(11-13)21-20(26)24-10-4-6-14(12-24)18(25)23-19-22-16-8-3-9-17(16)27-19/h2,5,7,11,14H,3-4,6,8-10,12H2,1H3,(H,21,26)(H,22,23,25)/t14-/m1/s1
InChIKeyFHKQSSUIBMQLOI-CQSZACIVSA-N
MW384.51 g/mol
LogP3.82
Rot. Bonds3

About (3R)-3-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide

(3R)-3-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide (PubChem CID 94155243) has the molecular formula C20H24N4O2S and a molecular weight of 384.51 g/mol. Its IUPAC name is (3R)-3-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3R)-3-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
PubChem CID94155243
Molecular FormulaC20H24N4O2S
Molecular Weight384.51 g/mol
Exact Mass384.16
IUPAC Name(3R)-3-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
SMILESCc1cccc(NC(=O)N2CCC[C@@H](C(=O)Nc3nc4c(s3)CCC4)C2)c1
InChIInChI=1S/C20H24N4O2S/c1-13-5-2-7-15(11-13)21-20(26)24-10-4-6-14(12-24)18(25)23-19-22-16-8-3-9-17(16)27-19/h2,5,7,11,14H,3-4,6,8-10,12H2,1H3,(H,21,26)(H,22,23,25)/t14-/m1/s1
InChIKeyFHKQSSUIBMQLOI-CQSZACIVSA-N
XLogP3.82
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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
(3S)-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 81126323
ethyl 3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl)piperidine-1-carboxylate
CID 42948294
(3S)-1-acetyl-N-(3-methylphenyl)piperidine-3-carboxamide
CID 9039260
(3R)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 51458679
1-N-(3-methylphenyl)-3-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide
CID 112838340
ethyl 1-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-ylcarbamoyl)piperidine-3-carboxylate
CID 102556073
3-N-(2-methoxyphenyl)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 55817552
1-[1-[(3-methylphenyl)carbamoyl]piperidine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 119355069
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 (3R)-3-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide?
The IUPAC name of (3R)-3-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide (CID 94155243) is (3R)-3-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide.
What is the SMILES notation for (3R)-3-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide?
The canonical SMILES for (3R)-3-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide is Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)Nc3nc4c(s3)CCC4)C2)c1.
What is the InChIKey of (3R)-3-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide?
The InChIKey is FHKQSSUIBMQLOI-CQSZACIVSA-N. The full InChI is InChI=1S/C20H24N4O2S/c1-13-5-2-7-15(11-13)21-20(26)24-10-4-6-14(12-24)18(25)23-19-22-16-8-3-9-17(16)27-19/h2,5,7,11,14H,3-4,6,8-10,12H2,1H3,(H,21,26)(H,22,23,25)/t14-/m1/s1.
What are the key properties of (3R)-3-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide?
(3R)-3-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide has a molecular weight of 384.51 g/mol, XLogP of 3.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide is sourced from PubChem (CID 94155243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).