6-ethyl-N-[(2S)-2-(4-ethylphenyl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide

C27H32N2O3 — CID 35671586

IUPAC6-ethyl-N-[(2S)-2-(4-ethylphenyl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide
SMILESCCc1ccc([C@@H](CNC(=O)c2cc(=O)c3cc(CC)ccc3o2)N2CCCCC2)cc1
InChIInChI=1S/C27H32N2O3/c1-3-19-8-11-21(12-9-19)23(29-14-6-5-7-15-29)18-28-27(31)26-17-24(30)22-16-20(4-2)10-13-25(22)32-26/h8-13,16-17,23H,3-7,14-15,18H2,1-2H3,(H,28,31)/t23-/m1/s1
InChIKeyNJIBIBUHNDSRTR-HSZRJFAPSA-N
MW432.56 g/mol
LogP4.87
Rot. Bonds7

About 6-ethyl-N-[(2S)-2-(4-ethylphenyl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide

6-ethyl-N-[(2S)-2-(4-ethylphenyl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide (PubChem CID 35671586) has the molecular formula C27H32N2O3 and a molecular weight of 432.56 g/mol. Its IUPAC name is 6-ethyl-N-[(2S)-2-(4-ethylphenyl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide.

Molecular Properties

Compound Name6-ethyl-N-[(2S)-2-(4-ethylphenyl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide
PubChem CID35671586
Molecular FormulaC27H32N2O3
Molecular Weight432.56 g/mol
Exact Mass432.24
IUPAC Name6-ethyl-N-[(2S)-2-(4-ethylphenyl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide
SMILESCCc1ccc([C@@H](CNC(=O)c2cc(=O)c3cc(CC)ccc3o2)N2CCCCC2)cc1
InChIInChI=1S/C27H32N2O3/c1-3-19-8-11-21(12-9-19)23(29-14-6-5-7-15-29)18-28-27(31)26-17-24(30)22-16-20(4-2)10-13-25(22)32-26/h8-13,16-17,23H,3-7,14-15,18H2,1-2H3,(H,28,31)/t23-/m1/s1
InChIKeyNJIBIBUHNDSRTR-HSZRJFAPSA-N
XLogP4.87
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.56
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-ethyl-N-[2-(4-ethylphenyl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide
CID 50751394
6-ethyl-4-oxo-N-(2-phenyl-2-pyrrolidin-1-ylethyl)chromene-2-carboxamide
CID 45155475
N-[(2R)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-6-ethyl-4-oxochromene-2-carboxamide
CID 35575834
6-ethyl-N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]-4-oxochromene-2-carboxamide
CID 35574653
6-ethyl-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide
CID 22509494
6-ethyl-4-oxo-N-[(2S)-2-piperidin-1-yl-2-thiophen-2-ylethyl]chromene-2-carboxamide
CID 35574647
N-[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-6-methyl-4-oxochromene-2-carboxamide
CID 35574240
6-chloro-N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide
CID 35574606
N-[2-(4-tert-butylphenyl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide
CID 50751397
6-chloro-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-oxochromene-2-carboxamide
CID 45154906
N-[2-(4-tert-butylphenyl)-2-pyrrolidin-1-ylethyl]-6-chloro-4-oxochromene-2-carboxamide;hydrochloride
CID 52988291
6-chloro-7-methyl-4-oxo-N-[(2S)-2-piperidin-1-yl-2-(4-propan-2-ylphenyl)ethyl]chromene-2-carboxamide
CID 35578842

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N-[(2S)-2-(4-ethylphenyl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide?
The IUPAC name of 6-ethyl-N-[(2S)-2-(4-ethylphenyl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide (CID 35671586) is 6-ethyl-N-[(2S)-2-(4-ethylphenyl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide.
What is the SMILES notation for 6-ethyl-N-[(2S)-2-(4-ethylphenyl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide?
The canonical SMILES for 6-ethyl-N-[(2S)-2-(4-ethylphenyl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide is CCc1ccc([C@@H](CNC(=O)c2cc(=O)c3cc(CC)ccc3o2)N2CCCCC2)cc1.
What is the InChIKey of 6-ethyl-N-[(2S)-2-(4-ethylphenyl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide?
The InChIKey is NJIBIBUHNDSRTR-HSZRJFAPSA-N. The full InChI is InChI=1S/C27H32N2O3/c1-3-19-8-11-21(12-9-19)23(29-14-6-5-7-15-29)18-28-27(31)26-17-24(30)22-16-20(4-2)10-13-25(22)32-26/h8-13,16-17,23H,3-7,14-15,18H2,1-2H3,(H,28,31)/t23-/m1/s1.
What are the key properties of 6-ethyl-N-[(2S)-2-(4-ethylphenyl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide?
6-ethyl-N-[(2S)-2-(4-ethylphenyl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide has a molecular weight of 432.56 g/mol, XLogP of 4.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N-[(2S)-2-(4-ethylphenyl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide is sourced from PubChem (CID 35671586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).