1-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperidine-4-carboxamide

C16H22N2O2S — CID 42601203

IUPAC1-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperidine-4-carboxamide
SMILESCC1CCc2sc(C(=O)N3CCC(C(N)=O)CC3)cc2C1
InChIInChI=1S/C16H22N2O2S/c1-10-2-3-13-12(8-10)9-14(21-13)16(20)18-6-4-11(5-7-18)15(17)19/h9-11H,2-8H2,1H3,(H2,17,19)
InChIKeyCHPVUNJEMRXVEP-UHFFFAOYSA-N
MW306.43 g/mol
LogP2.21
Rot. Bonds2

About 1-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperidine-4-carboxamide

1-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperidine-4-carboxamide (PubChem CID 42601203) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is 1-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperidine-4-carboxamide
PubChem CID42601203
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC Name1-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperidine-4-carboxamide
SMILESCC1CCc2sc(C(=O)N3CCC(C(N)=O)CC3)cc2C1
InChIInChI=1S/C16H22N2O2S/c1-10-2-3-13-12(8-10)9-14(21-13)16(20)18-6-4-11(5-7-18)15(17)19/h9-11H,2-8H2,1H3,(H2,17,19)
InChIKeyCHPVUNJEMRXVEP-UHFFFAOYSA-N
XLogP2.21
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Piperidin-1-yl(4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl)methanone
CID 2072949
Phenyl-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
CID 2740735
N1-[1-(2-thienylcarbonyl)-4-piperidyl]benzamide
CID 2729508
[4-(5-Ethyl-4-methylthiophene-2-carbonyl)piperazin-1-yl]-phenylmethanone
CID 4780261
(5-Ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-(4-prop-2-enylpiperazin-1-yl)methanone
CID 6466553
(5-Ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)(4-methyl-1,4-diazepan-1-yl)methanone
CID 6467189
1-(4,5,6,7-Tetrahydro-1-benzothiophene-2-carbonyl)piperidine-4-carboxamide
CID 24979733
N-(4-methylcyclohexyl)-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide
CID 24979973
N-isopropyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 687094
N,N-Diethyl-4-(piperidin-4-ylidene-thiophen-2-yl-methyl)-benzamide
CID 10760626
6-(2,2-Dimethyl-1-oxopropyl)-4,5,6,7-tetrahydro-N-hydroxythieno[2,3-c]pyridine-2-carboxamide
CID 49831259
6-(cyclohexanecarbonyl)-N-hydroxy-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide
CID 49873200

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of 1-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperidine-4-carboxamide (CID 42601203) is 1-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperidine-4-carboxamide is CC1CCc2sc(C(=O)N3CCC(C(N)=O)CC3)cc2C1.
What is the InChIKey of 1-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is CHPVUNJEMRXVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-10-2-3-13-12(8-10)9-14(21-13)16(20)18-6-4-11(5-7-18)15(17)19/h9-11H,2-8H2,1H3,(H2,17,19).
What are the key properties of 1-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperidine-4-carboxamide?
1-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 306.43 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 42601203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).