N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide

C18H31N3O2S — CID 55717168

IUPACN-[4-(3,5-dimethylpiperidin-1-yl)butyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
SMILESCc1csc(=O)n1CCC(=O)NCCCCN1CC(C)CC(C)C1
InChIInChI=1S/C18H31N3O2S/c1-14-10-15(2)12-20(11-14)8-5-4-7-19-17(22)6-9-21-16(3)13-24-18(21)23/h13-15H,4-12H2,1-3H3,(H,19,22)
InChIKeyIFFLTCYJYWGWPG-UHFFFAOYSA-N
MW353.53 g/mol
LogP2.48
Rot. Bonds8

About N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide

N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide (PubChem CID 55717168) has the molecular formula C18H31N3O2S and a molecular weight of 353.53 g/mol. Its IUPAC name is N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide.

Molecular Properties

Compound NameN-[4-(3,5-dimethylpiperidin-1-yl)butyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
PubChem CID55717168
Molecular FormulaC18H31N3O2S
Molecular Weight353.53 g/mol
Exact Mass353.21
IUPAC NameN-[4-(3,5-dimethylpiperidin-1-yl)butyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
SMILESCc1csc(=O)n1CCC(=O)NCCCCN1CC(C)CC(C)C1
InChIInChI=1S/C18H31N3O2S/c1-14-10-15(2)12-20(11-14)8-5-4-7-19-17(22)6-9-21-16(3)13-24-18(21)23/h13-15H,4-12H2,1-3H3,(H,19,22)
InChIKeyIFFLTCYJYWGWPG-UHFFFAOYSA-N
XLogP2.48
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.53
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[4-(3,5-dimethylpiperidin-1-yl)butyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide?
The IUPAC name of N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide (CID 55717168) is N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide.
What is the SMILES notation for N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide?
The canonical SMILES for N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide is Cc1csc(=O)n1CCC(=O)NCCCCN1CC(C)CC(C)C1.
What is the InChIKey of N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide?
The InChIKey is IFFLTCYJYWGWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O2S/c1-14-10-15(2)12-20(11-14)8-5-4-7-19-17(22)6-9-21-16(3)13-24-18(21)23/h13-15H,4-12H2,1-3H3,(H,19,22).
What are the key properties of N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide?
N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide has a molecular weight of 353.53 g/mol, XLogP of 2.48, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide is sourced from PubChem (CID 55717168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).