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

C25H28N4O3S — CID 20973471

IUPAC1-N-[(3-methoxyphenyl)methyl]-4-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidine-1,4-dicarboxamide
SMILESCOc1cccc(CNC(=O)N2CCC(C(=O)NCc3csc(-c4ccccc4)n3)CC2)c1
InChIInChI=1S/C25H28N4O3S/c1-32-22-9-5-6-18(14-22)15-27-25(31)29-12-10-19(11-13-29)23(30)26-16-21-17-33-24(28-21)20-7-3-2-4-8-20/h2-9,14,17,19H,10-13,15-16H2,1H3,(H,26,30)(H,27,31)
InChIKeyRMWWOMOEWOOAGB-UHFFFAOYSA-N
MW464.59 g/mol
LogP4.06
Rot. Bonds7

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

1-N-[(3-methoxyphenyl)methyl]-4-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidine-1,4-dicarboxamide (PubChem CID 20973471) has the molecular formula C25H28N4O3S and a molecular weight of 464.59 g/mol. Its IUPAC name is 1-N-[(3-methoxyphenyl)methyl]-4-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-[(3-methoxyphenyl)methyl]-4-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidine-1,4-dicarboxamide
PubChem CID20973471
Molecular FormulaC25H28N4O3S
Molecular Weight464.59 g/mol
Exact Mass464.19
IUPAC Name1-N-[(3-methoxyphenyl)methyl]-4-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidine-1,4-dicarboxamide
SMILESCOc1cccc(CNC(=O)N2CCC(C(=O)NCc3csc(-c4ccccc4)n3)CC2)c1
InChIInChI=1S/C25H28N4O3S/c1-32-22-9-5-6-18(14-22)15-27-25(31)29-12-10-19(11-13-29)23(30)26-16-21-17-33-24(28-21)20-7-3-2-4-8-20/h2-9,14,17,19H,10-13,15-16H2,1H3,(H,26,30)(H,27,31)
InChIKeyRMWWOMOEWOOAGB-UHFFFAOYSA-N
XLogP4.06
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.59
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

1-N-(2-methoxyphenyl)-4-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidine-1,4-dicarboxamide
CID 20973454
N-[(3-methoxyphenyl)methyl]-1-methylpiperidine-4-carboxamide
CID 70985796
1-N-(2-chlorophenyl)-4-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidine-1,4-dicarboxamide
CID 20973455
N-[(3-methoxyphenyl)methyl]-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide
CID 53057818
N-[(3-methoxyphenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 5123401
1-(4-fluorobenzoyl)-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 18104565
[1-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]-phenylmethanone
CID 51326235
4-benzyl-N-[(3-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 27517759
(3S)-3-[(dimethylamino)methyl]-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidine-1-carboxamide
CID 99627252
4-N-[2-(3-methoxyphenyl)ethyl]-1-N-phenylpiperidine-1,4-dicarboxamide
CID 99559457
1-(furan-3-carbonyl)-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 35676446
N-[(3-methoxyphenyl)methyl]-1-(2-methylpropyl)piperidine-4-carboxamide
CID 47067999

Frequently Asked Questions

What is the IUPAC name of 1-N-[(3-methoxyphenyl)methyl]-4-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidine-1,4-dicarboxamide?
The IUPAC name of 1-N-[(3-methoxyphenyl)methyl]-4-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidine-1,4-dicarboxamide (CID 20973471) is 1-N-[(3-methoxyphenyl)methyl]-4-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-[(3-methoxyphenyl)methyl]-4-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N-[(3-methoxyphenyl)methyl]-4-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidine-1,4-dicarboxamide is COc1cccc(CNC(=O)N2CCC(C(=O)NCc3csc(-c4ccccc4)n3)CC2)c1.
What is the InChIKey of 1-N-[(3-methoxyphenyl)methyl]-4-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidine-1,4-dicarboxamide?
The InChIKey is RMWWOMOEWOOAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3S/c1-32-22-9-5-6-18(14-22)15-27-25(31)29-12-10-19(11-13-29)23(30)26-16-21-17-33-24(28-21)20-7-3-2-4-8-20/h2-9,14,17,19H,10-13,15-16H2,1H3,(H,26,30)(H,27,31).
What are the key properties of 1-N-[(3-methoxyphenyl)methyl]-4-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidine-1,4-dicarboxamide?
1-N-[(3-methoxyphenyl)methyl]-4-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidine-1,4-dicarboxamide has a molecular weight of 464.59 g/mol, XLogP of 4.06, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(3-methoxyphenyl)methyl]-4-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidine-1,4-dicarboxamide is sourced from PubChem (CID 20973471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).