N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)piperidine-2-carboxamide

C15H22N2OS — CID 119334886

IUPACN-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)piperidine-2-carboxamide
SMILESCc1c(NC(=O)C2CCCCN2)sc2c1CCCC2
InChIInChI=1S/C15H22N2OS/c1-10-11-6-2-3-8-13(11)19-15(10)17-14(18)12-7-4-5-9-16-12/h12,16H,2-9H2,1H3,(H,17,18)
InChIKeyKKZPDMQFVWCVMQ-UHFFFAOYSA-N
MW278.42 g/mol
LogP3.02
Rot. Bonds2

About N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)piperidine-2-carboxamide

N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)piperidine-2-carboxamide (PubChem CID 119334886) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)piperidine-2-carboxamide
PubChem CID119334886
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC NameN-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)piperidine-2-carboxamide
SMILESCc1c(NC(=O)C2CCCCN2)sc2c1CCCC2
InChIInChI=1S/C15H22N2OS/c1-10-11-6-2-3-8-13(11)19-15(10)17-14(18)12-7-4-5-9-16-12/h12,16H,2-9H2,1H3,(H,17,18)
InChIKeyKKZPDMQFVWCVMQ-UHFFFAOYSA-N
XLogP3.02
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyrrolidine-2-carboxamide
CID 119334902
ethyl 2-[[(2R)-pyrrolidine-2-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 104901069
N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-2-carboxamide;hydrochloride
CID 119265892
N-(2,3,6-trimethylphenyl)piperidine-2-carboxamide
CID 155036949
N-(2,6-dimethylphenyl)azepane-2-carboxamide
CID 64562214
(2S)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 119290959
N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)pyrrolidine-2-carboxamide
CID 102554241
(2S)-N-(4,5-dimethyl-1H-pyrazol-3-yl)piperidine-2-carboxamide
CID 104914702
(2R)-N-(4-methylphenyl)piperidine-2-carboxamide;hydrochloride
CID 119670939
N-(2-methyl-6-propan-2-ylphenyl)piperidine-2-carboxamide
CID 10730082
N-(2,5-difluoro-4-methylphenyl)piperidine-2-carboxamide
CID 103586007
(2R)-N-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-2-carboxamide
CID 104914813

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)piperidine-2-carboxamide?
The IUPAC name of N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)piperidine-2-carboxamide (CID 119334886) is N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)piperidine-2-carboxamide.
What is the SMILES notation for N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)piperidine-2-carboxamide?
The canonical SMILES for N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)piperidine-2-carboxamide is Cc1c(NC(=O)C2CCCCN2)sc2c1CCCC2.
What is the InChIKey of N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)piperidine-2-carboxamide?
The InChIKey is KKZPDMQFVWCVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-10-11-6-2-3-8-13(11)19-15(10)17-14(18)12-7-4-5-9-16-12/h12,16H,2-9H2,1H3,(H,17,18).
What are the key properties of N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)piperidine-2-carboxamide?
N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)piperidine-2-carboxamide has a molecular weight of 278.42 g/mol, XLogP of 3.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)piperidine-2-carboxamide is sourced from PubChem (CID 119334886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).