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

C20H25BrN4OS — CID 991000

IUPAC1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-piperidin-1-ylpiperidine-4-carboxamide
SMILESNC(=O)C1(N2CCCCC2)CCN(c2nc(-c3ccc(Br)cc3)cs2)CC1
InChIInChI=1S/C20H25BrN4OS/c21-16-6-4-15(5-7-16)17-14-27-19(23-17)24-12-8-20(9-13-24,18(22)26)25-10-2-1-3-11-25/h4-7,14H,1-3,8-13H2,(H2,22,26)
InChIKeyIDFABWNHHWWLSC-UHFFFAOYSA-N
MW449.42 g/mol
LogP3.88
Rot. Bonds4

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

1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-piperidin-1-ylpiperidine-4-carboxamide (PubChem CID 991000) has the molecular formula C20H25BrN4OS and a molecular weight of 449.42 g/mol. Its IUPAC name is 1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-piperidin-1-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-piperidin-1-ylpiperidine-4-carboxamide
PubChem CID991000
Molecular FormulaC20H25BrN4OS
Molecular Weight449.42 g/mol
Exact Mass448.09
IUPAC Name1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-piperidin-1-ylpiperidine-4-carboxamide
SMILESNC(=O)C1(N2CCCCC2)CCN(c2nc(-c3ccc(Br)cc3)cs2)CC1
InChIInChI=1S/C20H25BrN4OS/c21-16-6-4-15(5-7-16)17-14-27-19(23-17)24-12-8-20(9-13-24,18(22)26)25-10-2-1-3-11-25/h4-7,14H,1-3,8-13H2,(H2,22,26)
InChIKeyIDFABWNHHWWLSC-UHFFFAOYSA-N
XLogP3.88
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.42
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-piperidin-1-ylpiperidine-4-carboxamide?
The IUPAC name of 1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-piperidin-1-ylpiperidine-4-carboxamide (CID 991000) is 1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-piperidin-1-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-piperidin-1-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-piperidin-1-ylpiperidine-4-carboxamide is NC(=O)C1(N2CCCCC2)CCN(c2nc(-c3ccc(Br)cc3)cs2)CC1.
What is the InChIKey of 1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-piperidin-1-ylpiperidine-4-carboxamide?
The InChIKey is IDFABWNHHWWLSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25BrN4OS/c21-16-6-4-15(5-7-16)17-14-27-19(23-17)24-12-8-20(9-13-24,18(22)26)25-10-2-1-3-11-25/h4-7,14H,1-3,8-13H2,(H2,22,26).
What are the key properties of 1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-piperidin-1-ylpiperidine-4-carboxamide?
1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-piperidin-1-ylpiperidine-4-carboxamide has a molecular weight of 449.42 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-piperidin-1-ylpiperidine-4-carboxamide is sourced from PubChem (CID 991000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).