2-[4-(3-cyclobutyloxypiperidin-1-yl)piperidin-1-yl]-N-[(3,5-difluoro-2-pyridinyl)methyl]-1,3-thiazole-5-carboxamide

C24H31F2N5O2S — CID 156735183

IUPAC2-[4-(3-cyclobutyloxypiperidin-1-yl)piperidin-1-yl]-N-[(3,5-difluoro-2-pyridinyl)methyl]-1,3-thiazole-5-carboxamide
SMILESO=C(NCc1ncc(F)cc1F)c1cnc(N2CCC(N3CCCC(OC4CCC4)C3)CC2)s1
InChIInChI=1S/C24H31F2N5O2S/c25-16-11-20(26)21(27-12-16)13-28-23(32)22-14-29-24(34-22)30-9-6-17(7-10-30)31-8-2-5-19(15-31)33-18-3-1-4-18/h11-12,14,17-19H,1-10,13,15H2,(H,28,32)
InChIKeyPQSFSDBBIGAKMY-UHFFFAOYSA-N
MW491.61 g/mol
LogP3.75
Rot. Bonds7

About 2-[4-(3-cyclobutyloxypiperidin-1-yl)piperidin-1-yl]-N-[(3,5-difluoro-2-pyridinyl)methyl]-1,3-thiazole-5-carboxamide

2-[4-(3-cyclobutyloxypiperidin-1-yl)piperidin-1-yl]-N-[(3,5-difluoro-2-pyridinyl)methyl]-1,3-thiazole-5-carboxamide (PubChem CID 156735183) has the molecular formula C24H31F2N5O2S and a molecular weight of 491.61 g/mol. Its IUPAC name is 2-[4-(3-cyclobutyloxypiperidin-1-yl)piperidin-1-yl]-N-[(3,5-difluoro-2-pyridinyl)methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[4-(3-cyclobutyloxypiperidin-1-yl)piperidin-1-yl]-N-[(3,5-difluoro-2-pyridinyl)methyl]-1,3-thiazole-5-carboxamide
PubChem CID156735183
Molecular FormulaC24H31F2N5O2S
Molecular Weight491.61 g/mol
Exact Mass491.22
IUPAC Name2-[4-(3-cyclobutyloxypiperidin-1-yl)piperidin-1-yl]-N-[(3,5-difluoro-2-pyridinyl)methyl]-1,3-thiazole-5-carboxamide
SMILESO=C(NCc1ncc(F)cc1F)c1cnc(N2CCC(N3CCCC(OC4CCC4)C3)CC2)s1
InChIInChI=1S/C24H31F2N5O2S/c25-16-11-20(26)21(27-12-16)13-28-23(32)22-14-29-24(34-22)30-9-6-17(7-10-30)31-8-2-5-19(15-31)33-18-3-1-4-18/h11-12,14,17-19H,1-10,13,15H2,(H,28,32)
InChIKeyPQSFSDBBIGAKMY-UHFFFAOYSA-N
XLogP3.75
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.61
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[4-(3-cyclobutyloxypiperidin-1-yl)piperidin-1-yl]-N-[(3,5-difluoro-2-pyridinyl)methyl]-1,3-thiazole-5-carboxamide with MolForge

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Related Compounds

2-[4-[3-(cyclobutyloxymethyl)piperidin-1-yl]piperidin-1-yl]-N-[(3,5-difluoro-2-pyridinyl)methyl]-1,3-thiazole-5-carboxamide
CID 156735109
2-[4-[3-[(2,2-difluorocyclopropyl)methoxy]piperidin-1-yl]piperidin-1-yl]-N-[(3,5-difluoro-2-pyridinyl)methyl]-1,3-thiazole-5-carboxamide
CID 156735115
2-[4-(5-azaspiro[2.5]octan-5-yl)-3-fluoropiperidin-1-yl]-N-[(3,5-difluoro-2-pyridinyl)methyl]-1,3-thiazole-5-carboxamide
CID 156735161
2-[4-[3-(cyclobutylmethoxy)piperidin-1-yl]piperidin-1-yl]-N-[(3,5-difluoro-2-pyridinyl)methyl]-1,3-thiazole-5-carboxamide
CID 156735188
US20240000767, Example 134
CID 156735003
US20240000767, Example 103
CID 156735053
US20240000767, Example 130
CID 156735061
US20240000767, Example 133
CID 156735066
US20240000767, Example 69
CID 156735067
US20240000767, Example 65
CID 156735073
US12540134, Example 127
CID 156735214
US20240000767, Example 59
CID 156735224

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-cyclobutyloxypiperidin-1-yl)piperidin-1-yl]-N-[(3,5-difluoro-2-pyridinyl)methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[4-(3-cyclobutyloxypiperidin-1-yl)piperidin-1-yl]-N-[(3,5-difluoro-2-pyridinyl)methyl]-1,3-thiazole-5-carboxamide (CID 156735183) is 2-[4-(3-cyclobutyloxypiperidin-1-yl)piperidin-1-yl]-N-[(3,5-difluoro-2-pyridinyl)methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[4-(3-cyclobutyloxypiperidin-1-yl)piperidin-1-yl]-N-[(3,5-difluoro-2-pyridinyl)methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[4-(3-cyclobutyloxypiperidin-1-yl)piperidin-1-yl]-N-[(3,5-difluoro-2-pyridinyl)methyl]-1,3-thiazole-5-carboxamide is O=C(NCc1ncc(F)cc1F)c1cnc(N2CCC(N3CCCC(OC4CCC4)C3)CC2)s1.
What is the InChIKey of 2-[4-(3-cyclobutyloxypiperidin-1-yl)piperidin-1-yl]-N-[(3,5-difluoro-2-pyridinyl)methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is PQSFSDBBIGAKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31F2N5O2S/c25-16-11-20(26)21(27-12-16)13-28-23(32)22-14-29-24(34-22)30-9-6-17(7-10-30)31-8-2-5-19(15-31)33-18-3-1-4-18/h11-12,14,17-19H,1-10,13,15H2,(H,28,32).
What are the key properties of 2-[4-(3-cyclobutyloxypiperidin-1-yl)piperidin-1-yl]-N-[(3,5-difluoro-2-pyridinyl)methyl]-1,3-thiazole-5-carboxamide?
2-[4-(3-cyclobutyloxypiperidin-1-yl)piperidin-1-yl]-N-[(3,5-difluoro-2-pyridinyl)methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 491.61 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-cyclobutyloxypiperidin-1-yl)piperidin-1-yl]-N-[(3,5-difluoro-2-pyridinyl)methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 156735183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).