1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N-propylpiperidine-3-carboxamide

C17H29N3OS — CID 49440653

IUPAC1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N-propylpiperidine-3-carboxamide
SMILESCCCNC(=O)C1CCCN(Cc2csc(C(C)(C)C)n2)C1
InChIInChI=1S/C17H29N3OS/c1-5-8-18-15(21)13-7-6-9-20(10-13)11-14-12-22-16(19-14)17(2,3)4/h12-13H,5-11H2,1-4H3,(H,18,21)
InChIKeyPUTWLPXCFACDPO-UHFFFAOYSA-N
MW323.51 g/mol
LogP3.18
Rot. Bonds5

About 1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N-propylpiperidine-3-carboxamide

1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N-propylpiperidine-3-carboxamide (PubChem CID 49440653) has the molecular formula C17H29N3OS and a molecular weight of 323.51 g/mol. Its IUPAC name is 1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N-propylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N-propylpiperidine-3-carboxamide
PubChem CID49440653
Molecular FormulaC17H29N3OS
Molecular Weight323.51 g/mol
Exact Mass323.20
IUPAC Name1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N-propylpiperidine-3-carboxamide
SMILESCCCNC(=O)C1CCCN(Cc2csc(C(C)(C)C)n2)C1
InChIInChI=1S/C17H29N3OS/c1-5-8-18-15(21)13-7-6-9-20(10-13)11-14-12-22-16(19-14)17(2,3)4/h12-13H,5-11H2,1-4H3,(H,18,21)
InChIKeyPUTWLPXCFACDPO-UHFFFAOYSA-N
XLogP3.18
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.51
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N-propylpiperidine-3-carboxamide?
The IUPAC name of 1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N-propylpiperidine-3-carboxamide (CID 49440653) is 1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N-propylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N-propylpiperidine-3-carboxamide?
The canonical SMILES for 1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N-propylpiperidine-3-carboxamide is CCCNC(=O)C1CCCN(Cc2csc(C(C)(C)C)n2)C1.
What is the InChIKey of 1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N-propylpiperidine-3-carboxamide?
The InChIKey is PUTWLPXCFACDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3OS/c1-5-8-18-15(21)13-7-6-9-20(10-13)11-14-12-22-16(19-14)17(2,3)4/h12-13H,5-11H2,1-4H3,(H,18,21).
What are the key properties of 1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N-propylpiperidine-3-carboxamide?
1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N-propylpiperidine-3-carboxamide has a molecular weight of 323.51 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N-propylpiperidine-3-carboxamide is sourced from PubChem (CID 49440653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).