N-(1-benzoylpiperidin-3-yl)-4-methoxythiophene-2-carboxamide

C18H20N2O3S — CID 75375952

IUPACN-(1-benzoylpiperidin-3-yl)-4-methoxythiophene-2-carboxamide
SMILESCOc1csc(C(=O)NC2CCCN(C(=O)c3ccccc3)C2)c1
InChIInChI=1S/C18H20N2O3S/c1-23-15-10-16(24-12-15)17(21)19-14-8-5-9-20(11-14)18(22)13-6-3-2-4-7-13/h2-4,6-7,10,12,14H,5,8-9,11H2,1H3,(H,19,21)
InChIKeyLXTMYWMCJGNVBZ-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.79
Rot. Bonds4

About N-(1-benzoylpiperidin-3-yl)-4-methoxythiophene-2-carboxamide

N-(1-benzoylpiperidin-3-yl)-4-methoxythiophene-2-carboxamide (PubChem CID 75375952) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-(1-benzoylpiperidin-3-yl)-4-methoxythiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-benzoylpiperidin-3-yl)-4-methoxythiophene-2-carboxamide
PubChem CID75375952
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC NameN-(1-benzoylpiperidin-3-yl)-4-methoxythiophene-2-carboxamide
SMILESCOc1csc(C(=O)NC2CCCN(C(=O)c3ccccc3)C2)c1
InChIInChI=1S/C18H20N2O3S/c1-23-15-10-16(24-12-15)17(21)19-14-8-5-9-20(11-14)18(22)13-6-3-2-4-7-13/h2-4,6-7,10,12,14H,5,8-9,11H2,1H3,(H,19,21)
InChIKeyLXTMYWMCJGNVBZ-UHFFFAOYSA-N
XLogP2.79
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methoxythiophen-2-yl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone
CID 124572642
(4-methoxythiophen-2-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119491500
N-[(3R)-1-(4-methylbenzoyl)piperidin-3-yl]benzamide
CID 59294620
N-[(3R)-1-benzoylpiperidin-3-yl]-3,5-difluorobenzamide
CID 95276175
N-[(3S)-1-benzoylpiperidin-3-yl]-3,5-difluorobenzamide
CID 95276174
N-[(3S)-1-benzoylpiperidin-3-yl]-3,5-dimethylimidazole-4-carboxamide
CID 125166283
tert-butyl N-(1-benzoylpiperidin-3-yl)carbamate
CID 60549057
N-cyclopentyl-3-[1-(4-methoxybenzoyl)piperidin-3-yl]benzamide
CID 46333939
methyl N-[(3S)-1-benzoylpyrrolidin-3-yl]carbamate
CID 124575994
1-[(3S)-1-benzoylpiperidin-3-yl]-3-ethylurea
CID 95315387
[3-(1-aminoethyl)piperidin-1-yl]-(4-methoxythiophen-2-yl)methanone
CID 81119549
N-cyclopropyl-3-[[(3R)-1-(4-methoxybenzoyl)piperidin-3-yl]methoxy]benzamide
CID 92901057

Frequently Asked Questions

What is the IUPAC name of N-(1-benzoylpiperidin-3-yl)-4-methoxythiophene-2-carboxamide?
The IUPAC name of N-(1-benzoylpiperidin-3-yl)-4-methoxythiophene-2-carboxamide (CID 75375952) is N-(1-benzoylpiperidin-3-yl)-4-methoxythiophene-2-carboxamide.
What is the SMILES notation for N-(1-benzoylpiperidin-3-yl)-4-methoxythiophene-2-carboxamide?
The canonical SMILES for N-(1-benzoylpiperidin-3-yl)-4-methoxythiophene-2-carboxamide is COc1csc(C(=O)NC2CCCN(C(=O)c3ccccc3)C2)c1.
What is the InChIKey of N-(1-benzoylpiperidin-3-yl)-4-methoxythiophene-2-carboxamide?
The InChIKey is LXTMYWMCJGNVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-23-15-10-16(24-12-15)17(21)19-14-8-5-9-20(11-14)18(22)13-6-3-2-4-7-13/h2-4,6-7,10,12,14H,5,8-9,11H2,1H3,(H,19,21).
What are the key properties of N-(1-benzoylpiperidin-3-yl)-4-methoxythiophene-2-carboxamide?
N-(1-benzoylpiperidin-3-yl)-4-methoxythiophene-2-carboxamide has a molecular weight of 344.44 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzoylpiperidin-3-yl)-4-methoxythiophene-2-carboxamide is sourced from PubChem (CID 75375952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).