N-[1-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)piperidin-4-yl]-2-methylbenzamide

C21H24N2O2S — CID 39510669

IUPACN-[1-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)piperidin-4-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC1CCN(C(=O)c2cc3c(s2)CCC3)CC1
InChIInChI=1S/C21H24N2O2S/c1-14-5-2-3-7-17(14)20(24)22-16-9-11-23(12-10-16)21(25)19-13-15-6-4-8-18(15)26-19/h2-3,5,7,13,16H,4,6,8-12H2,1H3,(H,22,24)
InChIKeyLHRPCFLAKRNBRQ-UHFFFAOYSA-N
MW368.50 g/mol
LogP3.58
Rot. Bonds3

About N-[1-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)piperidin-4-yl]-2-methylbenzamide

N-[1-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)piperidin-4-yl]-2-methylbenzamide (PubChem CID 39510669) has the molecular formula C21H24N2O2S and a molecular weight of 368.50 g/mol. Its IUPAC name is N-[1-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)piperidin-4-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[1-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)piperidin-4-yl]-2-methylbenzamide
PubChem CID39510669
Molecular FormulaC21H24N2O2S
Molecular Weight368.50 g/mol
Exact Mass368.16
IUPAC NameN-[1-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)piperidin-4-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC1CCN(C(=O)c2cc3c(s2)CCC3)CC1
InChIInChI=1S/C21H24N2O2S/c1-14-5-2-3-7-17(14)20(24)22-16-9-11-23(12-10-16)21(25)19-13-15-6-4-8-18(15)26-19/h2-3,5,7,13,16H,4,6,8-12H2,1H3,(H,22,24)
InChIKeyLHRPCFLAKRNBRQ-UHFFFAOYSA-N
XLogP3.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-4-[(2-methylbenzoyl)amino]piperidine-1-carboxamide
CID 110822504
2-methyl-N-[1-(5-methyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]benzamide
CID 136577969
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl(pyrrolidin-1-yl)methanone
CID 60644343
2-methyl-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzamide
CID 39512672
N-[1-(furan-3-carbonyl)piperidin-4-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 38212637
2-methyl-N-[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]benzamide
CID 39510641
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methylbenzamide
CID 38207852
[4-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)-1,4-diazepan-1-yl]-phenylmethanone
CID 37439394
N,N-dimethyl-4-[(2-methylbenzoyl)amino]piperidine-1-carboxamide
CID 108562715
phenyl-[4-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperazin-1-yl]methanone
CID 7792036
(4-aminopiperidin-1-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 43556243
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 55690908

Frequently Asked Questions

What is the IUPAC name of N-[1-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)piperidin-4-yl]-2-methylbenzamide?
The IUPAC name of N-[1-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)piperidin-4-yl]-2-methylbenzamide (CID 39510669) is N-[1-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)piperidin-4-yl]-2-methylbenzamide.
What is the SMILES notation for N-[1-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)piperidin-4-yl]-2-methylbenzamide?
The canonical SMILES for N-[1-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)piperidin-4-yl]-2-methylbenzamide is Cc1ccccc1C(=O)NC1CCN(C(=O)c2cc3c(s2)CCC3)CC1.
What is the InChIKey of N-[1-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)piperidin-4-yl]-2-methylbenzamide?
The InChIKey is LHRPCFLAKRNBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2S/c1-14-5-2-3-7-17(14)20(24)22-16-9-11-23(12-10-16)21(25)19-13-15-6-4-8-18(15)26-19/h2-3,5,7,13,16H,4,6,8-12H2,1H3,(H,22,24).
What are the key properties of N-[1-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)piperidin-4-yl]-2-methylbenzamide?
N-[1-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)piperidin-4-yl]-2-methylbenzamide has a molecular weight of 368.50 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)piperidin-4-yl]-2-methylbenzamide is sourced from PubChem (CID 39510669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).