1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-piperidin-1-ylpiperidine-4-carboxamide

C21H28N4O2S — CID 1251528

IUPAC1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-piperidin-1-ylpiperidine-4-carboxamide
SMILESCOc1ccc(-c2csc(N3CCC(C(N)=O)(N4CCCCC4)CC3)n2)cc1
InChIInChI=1S/C21H28N4O2S/c1-27-17-7-5-16(6-8-17)18-15-28-20(23-18)24-13-9-21(10-14-24,19(22)26)25-11-3-2-4-12-25/h5-8,15H,2-4,9-14H2,1H3,(H2,22,26)
InChIKeyCOYZMNJFOMDCAR-UHFFFAOYSA-N
MW400.55 g/mol
LogP3.13
Rot. Bonds5

About 1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-piperidin-1-ylpiperidine-4-carboxamide

1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-piperidin-1-ylpiperidine-4-carboxamide (PubChem CID 1251528) has the molecular formula C21H28N4O2S and a molecular weight of 400.55 g/mol. Its IUPAC name is 1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-piperidin-1-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-piperidin-1-ylpiperidine-4-carboxamide
PubChem CID1251528
Molecular FormulaC21H28N4O2S
Molecular Weight400.55 g/mol
Exact Mass400.19
IUPAC Name1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-piperidin-1-ylpiperidine-4-carboxamide
SMILESCOc1ccc(-c2csc(N3CCC(C(N)=O)(N4CCCCC4)CC3)n2)cc1
InChIInChI=1S/C21H28N4O2S/c1-27-17-7-5-16(6-8-17)18-15-28-20(23-18)24-13-9-21(10-14-24,19(22)26)25-11-3-2-4-12-25/h5-8,15H,2-4,9-14H2,1H3,(H2,22,26)
InChIKeyCOYZMNJFOMDCAR-UHFFFAOYSA-N
XLogP3.13
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.55
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-piperidin-1-ylpiperidine-4-carboxamide?
The IUPAC name of 1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-piperidin-1-ylpiperidine-4-carboxamide (CID 1251528) is 1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-piperidin-1-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-piperidin-1-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-piperidin-1-ylpiperidine-4-carboxamide is COc1ccc(-c2csc(N3CCC(C(N)=O)(N4CCCCC4)CC3)n2)cc1.
What is the InChIKey of 1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-piperidin-1-ylpiperidine-4-carboxamide?
The InChIKey is COYZMNJFOMDCAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2S/c1-27-17-7-5-16(6-8-17)18-15-28-20(23-18)24-13-9-21(10-14-24,19(22)26)25-11-3-2-4-12-25/h5-8,15H,2-4,9-14H2,1H3,(H2,22,26).
What are the key properties of 1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-piperidin-1-ylpiperidine-4-carboxamide?
1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-piperidin-1-ylpiperidine-4-carboxamide has a molecular weight of 400.55 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-piperidin-1-ylpiperidine-4-carboxamide is sourced from PubChem (CID 1251528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).