(3R)-N-(1-benzothiophen-3-ylmethyl)-N,1-dimethyl-2-oxopiperidine-3-carboxamide

C17H20N2O2S — CID 125144168

IUPAC(3R)-N-(1-benzothiophen-3-ylmethyl)-N,1-dimethyl-2-oxopiperidine-3-carboxamide
SMILESCN1CCC[C@@H](C(=O)N(C)Cc2csc3ccccc23)C1=O
InChIInChI=1S/C17H20N2O2S/c1-18-9-5-7-14(16(18)20)17(21)19(2)10-12-11-22-15-8-4-3-6-13(12)15/h3-4,6,8,11,14H,5,7,9-10H2,1-2H3/t14-/m1/s1
InChIKeyCXPPJPQVQHAYNA-CQSZACIVSA-N
MW316.43 g/mol
LogP2.73
Rot. Bonds3

About (3R)-N-(1-benzothiophen-3-ylmethyl)-N,1-dimethyl-2-oxopiperidine-3-carboxamide

(3R)-N-(1-benzothiophen-3-ylmethyl)-N,1-dimethyl-2-oxopiperidine-3-carboxamide (PubChem CID 125144168) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is (3R)-N-(1-benzothiophen-3-ylmethyl)-N,1-dimethyl-2-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(1-benzothiophen-3-ylmethyl)-N,1-dimethyl-2-oxopiperidine-3-carboxamide
PubChem CID125144168
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC Name(3R)-N-(1-benzothiophen-3-ylmethyl)-N,1-dimethyl-2-oxopiperidine-3-carboxamide
SMILESCN1CCC[C@@H](C(=O)N(C)Cc2csc3ccccc23)C1=O
InChIInChI=1S/C17H20N2O2S/c1-18-9-5-7-14(16(18)20)17(21)19(2)10-12-11-22-15-8-4-3-6-13(12)15/h3-4,6,8,11,14H,5,7,9-10H2,1-2H3/t14-/m1/s1
InChIKeyCXPPJPQVQHAYNA-CQSZACIVSA-N
XLogP2.73
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-N,4-N-bis(1-benzothiophen-3-ylmethyl)-1-N,4-N-dimethylcyclohexane-1,4-dicarboxamide
CID 112827429
4-[1-benzothiophen-3-ylmethyl(methyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120672892
(2S,4S)-N-(1-benzothiophen-3-ylmethyl)-N,2-dimethylpiperidine-4-carboxamide
CID 120620566
N-(1-benzothiophen-3-ylmethyl)-2-hydroxy-N-methylbenzamide
CID 75414970
N-(1-benzothiophen-3-ylmethyl)-N-methyl-2-oxoacetamide
CID 115166467
1-(1-benzothiophen-3-ylmethyl)-1,3-dimethylurea
CID 115169299
1-amino-N-(1-benzothiophen-3-ylmethyl)-N-methylcyclopentane-1-carboxamide
CID 119281546
N-(1-benzothiophen-3-ylmethyl)-1-cyano-N-methylformamide
CID 115172418
N-(1-benzothiophen-3-ylmethyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-methylbenzamide
CID 86990645
N-(1-benzothiophen-3-ylmethyl)-2-cyclopropyl-N-methyl-6-oxo-1H-pyrimidine-4-carboxamide
CID 136545181
4-[[1-benzothiophen-3-ylmethyl(methyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122025091
N-(1-benzothiophen-3-ylmethyl)-N,4-dimethylpentanamide
CID 86990643

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(1-benzothiophen-3-ylmethyl)-N,1-dimethyl-2-oxopiperidine-3-carboxamide?
The IUPAC name of (3R)-N-(1-benzothiophen-3-ylmethyl)-N,1-dimethyl-2-oxopiperidine-3-carboxamide (CID 125144168) is (3R)-N-(1-benzothiophen-3-ylmethyl)-N,1-dimethyl-2-oxopiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(1-benzothiophen-3-ylmethyl)-N,1-dimethyl-2-oxopiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(1-benzothiophen-3-ylmethyl)-N,1-dimethyl-2-oxopiperidine-3-carboxamide is CN1CCC[C@@H](C(=O)N(C)Cc2csc3ccccc23)C1=O.
What is the InChIKey of (3R)-N-(1-benzothiophen-3-ylmethyl)-N,1-dimethyl-2-oxopiperidine-3-carboxamide?
The InChIKey is CXPPJPQVQHAYNA-CQSZACIVSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-18-9-5-7-14(16(18)20)17(21)19(2)10-12-11-22-15-8-4-3-6-13(12)15/h3-4,6,8,11,14H,5,7,9-10H2,1-2H3/t14-/m1/s1.
What are the key properties of (3R)-N-(1-benzothiophen-3-ylmethyl)-N,1-dimethyl-2-oxopiperidine-3-carboxamide?
(3R)-N-(1-benzothiophen-3-ylmethyl)-N,1-dimethyl-2-oxopiperidine-3-carboxamide has a molecular weight of 316.43 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(1-benzothiophen-3-ylmethyl)-N,1-dimethyl-2-oxopiperidine-3-carboxamide is sourced from PubChem (CID 125144168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).