N-(1-benzylpiperidin-3-yl)-2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-methylacetamide

C20H27N3O2S — CID 136511616

IUPACN-(1-benzylpiperidin-3-yl)-2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-methylacetamide
SMILESCc1sc(=O)n(CC(=O)N(C)C2CCCN(Cc3ccccc3)C2)c1C
InChIInChI=1S/C20H27N3O2S/c1-15-16(2)26-20(25)23(15)14-19(24)21(3)18-10-7-11-22(13-18)12-17-8-5-4-6-9-17/h4-6,8-9,18H,7,10-14H2,1-3H3
InChIKeyQISKOEAYSZSGKP-UHFFFAOYSA-N
MW373.52 g/mol
LogP2.65
Rot. Bonds5

About N-(1-benzylpiperidin-3-yl)-2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-methylacetamide

N-(1-benzylpiperidin-3-yl)-2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-methylacetamide (PubChem CID 136511616) has the molecular formula C20H27N3O2S and a molecular weight of 373.52 g/mol. Its IUPAC name is N-(1-benzylpiperidin-3-yl)-2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-3-yl)-2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-methylacetamide
PubChem CID136511616
Molecular FormulaC20H27N3O2S
Molecular Weight373.52 g/mol
Exact Mass373.18
IUPAC NameN-(1-benzylpiperidin-3-yl)-2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-methylacetamide
SMILESCc1sc(=O)n(CC(=O)N(C)C2CCCN(Cc3ccccc3)C2)c1C
InChIInChI=1S/C20H27N3O2S/c1-15-16(2)26-20(25)23(15)14-19(24)21(3)18-10-7-11-22(13-18)12-17-8-5-4-6-9-17/h4-6,8-9,18H,7,10-14H2,1-3H3
InChIKeyQISKOEAYSZSGKP-UHFFFAOYSA-N
XLogP2.65
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-3-yl)-2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-methylacetamide?
The IUPAC name of N-(1-benzylpiperidin-3-yl)-2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-methylacetamide (CID 136511616) is N-(1-benzylpiperidin-3-yl)-2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-methylacetamide.
What is the SMILES notation for N-(1-benzylpiperidin-3-yl)-2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-methylacetamide?
The canonical SMILES for N-(1-benzylpiperidin-3-yl)-2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-methylacetamide is Cc1sc(=O)n(CC(=O)N(C)C2CCCN(Cc3ccccc3)C2)c1C.
What is the InChIKey of N-(1-benzylpiperidin-3-yl)-2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-methylacetamide?
The InChIKey is QISKOEAYSZSGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2S/c1-15-16(2)26-20(25)23(15)14-19(24)21(3)18-10-7-11-22(13-18)12-17-8-5-4-6-9-17/h4-6,8-9,18H,7,10-14H2,1-3H3.
What are the key properties of N-(1-benzylpiperidin-3-yl)-2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-methylacetamide?
N-(1-benzylpiperidin-3-yl)-2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-methylacetamide has a molecular weight of 373.52 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-3-yl)-2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-methylacetamide is sourced from PubChem (CID 136511616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).