N-butyl-2-methyl-1-(3-methylthiophene-2-carbonyl)piperidine-2-carboxamide

C17H26N2O2S — CID 46943689

IUPACN-butyl-2-methyl-1-(3-methylthiophene-2-carbonyl)piperidine-2-carboxamide
SMILESCCCCNC(=O)C1(C)CCCCN1C(=O)c1sccc1C
InChIInChI=1S/C17H26N2O2S/c1-4-5-10-18-16(21)17(3)9-6-7-11-19(17)15(20)14-13(2)8-12-22-14/h8,12H,4-7,9-11H2,1-3H3,(H,18,21)
InChIKeyIZHGTQBNPJASQS-UHFFFAOYSA-N
MW322.47 g/mol
LogP3.36
Rot. Bonds5

About N-butyl-2-methyl-1-(3-methylthiophene-2-carbonyl)piperidine-2-carboxamide

N-butyl-2-methyl-1-(3-methylthiophene-2-carbonyl)piperidine-2-carboxamide (PubChem CID 46943689) has the molecular formula C17H26N2O2S and a molecular weight of 322.47 g/mol. Its IUPAC name is N-butyl-2-methyl-1-(3-methylthiophene-2-carbonyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-butyl-2-methyl-1-(3-methylthiophene-2-carbonyl)piperidine-2-carboxamide
PubChem CID46943689
Molecular FormulaC17H26N2O2S
Molecular Weight322.47 g/mol
Exact Mass322.17
IUPAC NameN-butyl-2-methyl-1-(3-methylthiophene-2-carbonyl)piperidine-2-carboxamide
SMILESCCCCNC(=O)C1(C)CCCCN1C(=O)c1sccc1C
InChIInChI=1S/C17H26N2O2S/c1-4-5-10-18-16(21)17(3)9-6-7-11-19(17)15(20)14-13(2)8-12-22-14/h8,12H,4-7,9-11H2,1-3H3,(H,18,21)
InChIKeyIZHGTQBNPJASQS-UHFFFAOYSA-N
XLogP3.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.47
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Tenilsetam
CID 65649
tert-butyl 4-{[(2-thienylcarbonyl)amino]methyl}tetrahydro-1(2H)-pyridinecarboxylate
CID 2810469
4-Piperidyl-1-(2-thienylcarbonyl)piperidine-4-carboxamide
CID 687901
N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide
CID 1245731
(2S)-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]-2-(thiophen-2-ylformamido)butanamide
CID 25093406
(2S)-2-[(5-formylthiophen-2-yl)formamido]-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]butanamide
CID 25093408
N-[1-(Pyrrolidine-1-carbonyl)-2-thiophen-2-yl-vinyl]-benzamide
CID 2179888
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-methylthiophene-2-carboxamide
CID 2532766
N1-[1-(2-thienylcarbonyl)-4-piperidyl]benzamide
CID 2729508
N-(1-Methyl-2-(1-piperidinyl)ethyl)-2-thiophenecarboxamide
CID 2971109
N-[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 4651361
[4-(5-Ethyl-4-methylthiophene-2-carbonyl)piperazin-1-yl]-phenylmethanone
CID 4780261

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-methyl-1-(3-methylthiophene-2-carbonyl)piperidine-2-carboxamide?
The IUPAC name of N-butyl-2-methyl-1-(3-methylthiophene-2-carbonyl)piperidine-2-carboxamide (CID 46943689) is N-butyl-2-methyl-1-(3-methylthiophene-2-carbonyl)piperidine-2-carboxamide.
What is the SMILES notation for N-butyl-2-methyl-1-(3-methylthiophene-2-carbonyl)piperidine-2-carboxamide?
The canonical SMILES for N-butyl-2-methyl-1-(3-methylthiophene-2-carbonyl)piperidine-2-carboxamide is CCCCNC(=O)C1(C)CCCCN1C(=O)c1sccc1C.
What is the InChIKey of N-butyl-2-methyl-1-(3-methylthiophene-2-carbonyl)piperidine-2-carboxamide?
The InChIKey is IZHGTQBNPJASQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2S/c1-4-5-10-18-16(21)17(3)9-6-7-11-19(17)15(20)14-13(2)8-12-22-14/h8,12H,4-7,9-11H2,1-3H3,(H,18,21).
What are the key properties of N-butyl-2-methyl-1-(3-methylthiophene-2-carbonyl)piperidine-2-carboxamide?
N-butyl-2-methyl-1-(3-methylthiophene-2-carbonyl)piperidine-2-carboxamide has a molecular weight of 322.47 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-methyl-1-(3-methylthiophene-2-carbonyl)piperidine-2-carboxamide is sourced from PubChem (CID 46943689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).