N-butyl-1-(2-tert-butyl-1,3-thiazole-5-carbonyl)-6-methylpiperidine-3-carboxamide

C19H31N3O2S — CID 47897889

IUPACN-butyl-1-(2-tert-butyl-1,3-thiazole-5-carbonyl)-6-methylpiperidine-3-carboxamide
SMILESCCCCNC(=O)C1CCC(C)N(C(=O)c2cnc(C(C)(C)C)s2)C1
InChIInChI=1S/C19H31N3O2S/c1-6-7-10-20-16(23)14-9-8-13(2)22(12-14)17(24)15-11-21-18(25-15)19(3,4)5/h11,13-14H,6-10,12H2,1-5H3,(H,20,23)
InChIKeyOENBNCGWMCOYPA-UHFFFAOYSA-N
MW365.54 g/mol
LogP3.60
Rot. Bonds5

About N-butyl-1-(2-tert-butyl-1,3-thiazole-5-carbonyl)-6-methylpiperidine-3-carboxamide

N-butyl-1-(2-tert-butyl-1,3-thiazole-5-carbonyl)-6-methylpiperidine-3-carboxamide (PubChem CID 47897889) has the molecular formula C19H31N3O2S and a molecular weight of 365.54 g/mol. Its IUPAC name is N-butyl-1-(2-tert-butyl-1,3-thiazole-5-carbonyl)-6-methylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-1-(2-tert-butyl-1,3-thiazole-5-carbonyl)-6-methylpiperidine-3-carboxamide
PubChem CID47897889
Molecular FormulaC19H31N3O2S
Molecular Weight365.54 g/mol
Exact Mass365.21
IUPAC NameN-butyl-1-(2-tert-butyl-1,3-thiazole-5-carbonyl)-6-methylpiperidine-3-carboxamide
SMILESCCCCNC(=O)C1CCC(C)N(C(=O)c2cnc(C(C)(C)C)s2)C1
InChIInChI=1S/C19H31N3O2S/c1-6-7-10-20-16(23)14-9-8-13(2)22(12-14)17(24)15-11-21-18(25-15)19(3,4)5/h11,13-14H,6-10,12H2,1-5H3,(H,20,23)
InChIKeyOENBNCGWMCOYPA-UHFFFAOYSA-N
XLogP3.60
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.54
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-1-(2-tert-butyl-1,3-thiazole-5-carbonyl)-6-methylpiperidine-3-carboxamide?
The IUPAC name of N-butyl-1-(2-tert-butyl-1,3-thiazole-5-carbonyl)-6-methylpiperidine-3-carboxamide (CID 47897889) is N-butyl-1-(2-tert-butyl-1,3-thiazole-5-carbonyl)-6-methylpiperidine-3-carboxamide.
What is the SMILES notation for N-butyl-1-(2-tert-butyl-1,3-thiazole-5-carbonyl)-6-methylpiperidine-3-carboxamide?
The canonical SMILES for N-butyl-1-(2-tert-butyl-1,3-thiazole-5-carbonyl)-6-methylpiperidine-3-carboxamide is CCCCNC(=O)C1CCC(C)N(C(=O)c2cnc(C(C)(C)C)s2)C1.
What is the InChIKey of N-butyl-1-(2-tert-butyl-1,3-thiazole-5-carbonyl)-6-methylpiperidine-3-carboxamide?
The InChIKey is OENBNCGWMCOYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2S/c1-6-7-10-20-16(23)14-9-8-13(2)22(12-14)17(24)15-11-21-18(25-15)19(3,4)5/h11,13-14H,6-10,12H2,1-5H3,(H,20,23).
What are the key properties of N-butyl-1-(2-tert-butyl-1,3-thiazole-5-carbonyl)-6-methylpiperidine-3-carboxamide?
N-butyl-1-(2-tert-butyl-1,3-thiazole-5-carbonyl)-6-methylpiperidine-3-carboxamide has a molecular weight of 365.54 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-(2-tert-butyl-1,3-thiazole-5-carbonyl)-6-methylpiperidine-3-carboxamide is sourced from PubChem (CID 47897889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).