1-N-(2-methoxyphenyl)-4-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidine-1,4-dicarboxamide

C24H26N4O3S — CID 20973454

IUPAC1-N-(2-methoxyphenyl)-4-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidine-1,4-dicarboxamide
SMILESCOc1ccccc1NC(=O)N1CCC(C(=O)NCc2csc(-c3ccccc3)n2)CC1
InChIInChI=1S/C24H26N4O3S/c1-31-21-10-6-5-9-20(21)27-24(30)28-13-11-17(12-14-28)22(29)25-15-19-16-32-23(26-19)18-7-3-2-4-8-18/h2-10,16-17H,11-15H2,1H3,(H,25,29)(H,27,30)
InChIKeyKRVIUACVZNALKA-UHFFFAOYSA-N
MW450.56 g/mol
LogP4.38
Rot. Bonds6

About 1-N-(2-methoxyphenyl)-4-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidine-1,4-dicarboxamide

1-N-(2-methoxyphenyl)-4-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidine-1,4-dicarboxamide (PubChem CID 20973454) has the molecular formula C24H26N4O3S and a molecular weight of 450.56 g/mol. Its IUPAC name is 1-N-(2-methoxyphenyl)-4-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(2-methoxyphenyl)-4-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidine-1,4-dicarboxamide
PubChem CID20973454
Molecular FormulaC24H26N4O3S
Molecular Weight450.56 g/mol
Exact Mass450.17
IUPAC Name1-N-(2-methoxyphenyl)-4-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidine-1,4-dicarboxamide
SMILESCOc1ccccc1NC(=O)N1CCC(C(=O)NCc2csc(-c3ccccc3)n2)CC1
InChIInChI=1S/C24H26N4O3S/c1-31-21-10-6-5-9-20(21)27-24(30)28-13-11-17(12-14-28)22(29)25-15-19-16-32-23(26-19)18-7-3-2-4-8-18/h2-10,16-17H,11-15H2,1H3,(H,25,29)(H,27,30)
InChIKeyKRVIUACVZNALKA-UHFFFAOYSA-N
XLogP4.38
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.56
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-N-(2-chlorophenyl)-4-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidine-1,4-dicarboxamide
CID 20973455
1-N-[(3-methoxyphenyl)methyl]-4-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidine-1,4-dicarboxamide
CID 20973471
4-N-(2-methoxyphenyl)-1-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1,4-dicarboxamide
CID 86986741
1-N-(2,3-dimethoxyphenyl)-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1,4-dicarboxamide
CID 90602146
ethyl (3R)-3-[(2-phenyl-1,3-thiazol-4-yl)methylcarbamoyl]piperidine-1-carboxylate
CID 51653163
1-acetyl-N-[[4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]phenyl]methyl]piperidine-4-carboxamide
CID 108725376
N-(2-methoxyphenyl)-4-(piperidine-1-carbonyl)piperidine-1-carboxamide
CID 27869689
(3S)-3-N-[(4-fluorophenyl)methyl]-1-N-(2-methoxyphenyl)piperidine-1,3-dicarboxamide
CID 51687287
1-acetyl-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 6468496
1-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]azepane-2-carboxamide
CID 72916172
(2R)-1-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]azepane-2-carboxamide
CID 97145298
N-(2-methoxyphenyl)-4-thiophen-3-ylpiperidine-1-carboxamide
CID 90522512

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-methoxyphenyl)-4-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidine-1,4-dicarboxamide?
The IUPAC name of 1-N-(2-methoxyphenyl)-4-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidine-1,4-dicarboxamide (CID 20973454) is 1-N-(2-methoxyphenyl)-4-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(2-methoxyphenyl)-4-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N-(2-methoxyphenyl)-4-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidine-1,4-dicarboxamide is COc1ccccc1NC(=O)N1CCC(C(=O)NCc2csc(-c3ccccc3)n2)CC1.
What is the InChIKey of 1-N-(2-methoxyphenyl)-4-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidine-1,4-dicarboxamide?
The InChIKey is KRVIUACVZNALKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3S/c1-31-21-10-6-5-9-20(21)27-24(30)28-13-11-17(12-14-28)22(29)25-15-19-16-32-23(26-19)18-7-3-2-4-8-18/h2-10,16-17H,11-15H2,1H3,(H,25,29)(H,27,30).
What are the key properties of 1-N-(2-methoxyphenyl)-4-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidine-1,4-dicarboxamide?
1-N-(2-methoxyphenyl)-4-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidine-1,4-dicarboxamide has a molecular weight of 450.56 g/mol, XLogP of 4.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-methoxyphenyl)-4-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidine-1,4-dicarboxamide is sourced from PubChem (CID 20973454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).