N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-4-oxochromene-2-carboxamide

C22H24N2O3S — CID 42896547

IUPACN-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-4-oxochromene-2-carboxamide
SMILESCC1CCN(C(CNC(=O)c2cc(=O)c3ccccc3o2)c2cccs2)CC1
InChIInChI=1S/C22H24N2O3S/c1-15-8-10-24(11-9-15)17(21-7-4-12-28-21)14-23-22(26)20-13-18(25)16-5-2-3-6-19(16)27-20/h2-7,12-13,15,17H,8-11,14H2,1H3,(H,23,26)
InChIKeySQIWDJXJBLNYFC-UHFFFAOYSA-N
MW396.51 g/mol
LogP4.06
Rot. Bonds5

About N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-4-oxochromene-2-carboxamide

N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-4-oxochromene-2-carboxamide (PubChem CID 42896547) has the molecular formula C22H24N2O3S and a molecular weight of 396.51 g/mol. Its IUPAC name is N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-4-oxochromene-2-carboxamide
PubChem CID42896547
Molecular FormulaC22H24N2O3S
Molecular Weight396.51 g/mol
Exact Mass396.15
IUPAC NameN-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-4-oxochromene-2-carboxamide
SMILESCC1CCN(C(CNC(=O)c2cc(=O)c3ccccc3o2)c2cccs2)CC1
InChIInChI=1S/C22H24N2O3S/c1-15-8-10-24(11-9-15)17(21-7-4-12-28-21)14-23-22(26)20-13-18(25)16-5-2-3-6-19(16)27-20/h2-7,12-13,15,17H,8-11,14H2,1H3,(H,23,26)
InChIKeySQIWDJXJBLNYFC-UHFFFAOYSA-N
XLogP4.06
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-4-oxochromene-2-carboxamide
CID 46270223
6-methyl-4-oxo-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]chromene-2-carboxamide
CID 35573765
N-[(2R)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-6-ethyl-4-oxochromene-2-carboxamide
CID 35575834
6-ethyl-4-oxo-N-[(2S)-2-piperidin-1-yl-2-thiophen-2-ylethyl]chromene-2-carboxamide
CID 35574647
6,7-dimethyl-4-oxo-N-[(2S)-2-piperidin-1-yl-2-thiophen-2-ylethyl]chromene-2-carboxamide
CID 35574665
N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-6,7-dimethyl-4-oxochromene-2-carboxamide
CID 45154972
6-chloro-4-oxo-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)chromene-2-carboxamide;hydrochloride
CID 52985434
N-[(2R)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-6-chloro-4-oxochromene-2-carboxamide
CID 35575825
N-[(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-7-bromo-4-oxochromene-2-carboxamide
CID 35575728
N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 43006371
7-bromo-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-4-oxochromene-2-carboxamide
CID 35576051
N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]pyridine-2-carboxamide
CID 43006358

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-4-oxochromene-2-carboxamide?
The IUPAC name of N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-4-oxochromene-2-carboxamide (CID 42896547) is N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-4-oxochromene-2-carboxamide?
The canonical SMILES for N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-4-oxochromene-2-carboxamide is CC1CCN(C(CNC(=O)c2cc(=O)c3ccccc3o2)c2cccs2)CC1.
What is the InChIKey of N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-4-oxochromene-2-carboxamide?
The InChIKey is SQIWDJXJBLNYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3S/c1-15-8-10-24(11-9-15)17(21-7-4-12-28-21)14-23-22(26)20-13-18(25)16-5-2-3-6-19(16)27-20/h2-7,12-13,15,17H,8-11,14H2,1H3,(H,23,26).
What are the key properties of N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-4-oxochromene-2-carboxamide?
N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-4-oxochromene-2-carboxamide has a molecular weight of 396.51 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-4-oxochromene-2-carboxamide is sourced from PubChem (CID 42896547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).