4-oxo-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]chromene-2-carboxamide

C21H22N2O3S — CID 49215023

IUPAC4-oxo-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]chromene-2-carboxamide
SMILESO=C(NCC1CCCN(Cc2cccs2)C1)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C21H22N2O3S/c24-18-11-20(26-19-8-2-1-7-17(18)19)21(25)22-12-15-5-3-9-23(13-15)14-16-6-4-10-27-16/h1-2,4,6-8,10-11,15H,3,5,9,12-14H2,(H,22,25)
InChIKeyXUUPFHVMGSRLRT-UHFFFAOYSA-N
MW382.49 g/mol
LogP3.50
Rot. Bonds5

About 4-oxo-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]chromene-2-carboxamide

4-oxo-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]chromene-2-carboxamide (PubChem CID 49215023) has the molecular formula C21H22N2O3S and a molecular weight of 382.49 g/mol. Its IUPAC name is 4-oxo-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]chromene-2-carboxamide.

Molecular Properties

Compound Name4-oxo-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]chromene-2-carboxamide
PubChem CID49215023
Molecular FormulaC21H22N2O3S
Molecular Weight382.49 g/mol
Exact Mass382.14
IUPAC Name4-oxo-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]chromene-2-carboxamide
SMILESO=C(NCC1CCCN(Cc2cccs2)C1)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C21H22N2O3S/c24-18-11-20(26-19-8-2-1-7-17(18)19)21(25)22-12-15-5-3-9-23(13-15)14-16-6-4-10-27-16/h1-2,4,6-8,10-11,15H,3,5,9,12-14H2,(H,22,25)
InChIKeyXUUPFHVMGSRLRT-UHFFFAOYSA-N
XLogP3.50
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(methoxymethyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]-1-benzofuran-2-carboxamide
CID 49215135
1-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119865348
N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]cyclopentanecarboxamide
CID 94819121
1-methyl-2-oxo-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]pyridine-4-carboxamide
CID 49214790
3-amino-2-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]butanamide;dihydrochloride
CID 120503386
1-benzyl-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]piperidine-3-carboxamide
CID 49214275
N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 124581557
1-(2-hydroxyethyl)-3-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]urea
CID 49280156
(2S)-2-methyl-N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]pentanamide
CID 95318380
4-bromo-5-propan-2-yl-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]-1H-pyrazole-3-carboxamide
CID 56564994
(2S)-1-methyl-N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]piperidine-2-carboxamide
CID 95307465
3-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119865366

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]chromene-2-carboxamide?
The IUPAC name of 4-oxo-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]chromene-2-carboxamide (CID 49215023) is 4-oxo-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]chromene-2-carboxamide.
What is the SMILES notation for 4-oxo-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]chromene-2-carboxamide?
The canonical SMILES for 4-oxo-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]chromene-2-carboxamide is O=C(NCC1CCCN(Cc2cccs2)C1)c1cc(=O)c2ccccc2o1.
What is the InChIKey of 4-oxo-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]chromene-2-carboxamide?
The InChIKey is XUUPFHVMGSRLRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3S/c24-18-11-20(26-19-8-2-1-7-17(18)19)21(25)22-12-15-5-3-9-23(13-15)14-16-6-4-10-27-16/h1-2,4,6-8,10-11,15H,3,5,9,12-14H2,(H,22,25).
What are the key properties of 4-oxo-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]chromene-2-carboxamide?
4-oxo-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]chromene-2-carboxamide has a molecular weight of 382.49 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]chromene-2-carboxamide is sourced from PubChem (CID 49215023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).