N-[2-(4-tert-butylphenyl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide

C27H32N2O3 — CID 50751397

IUPACN-[2-(4-tert-butylphenyl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide
SMILESCC(C)(C)c1ccc(C(CNC(=O)c2cc(=O)c3ccccc3o2)N2CCCCC2)cc1
InChIInChI=1S/C27H32N2O3/c1-27(2,3)20-13-11-19(12-14-20)22(29-15-7-4-8-16-29)18-28-26(31)25-17-23(30)21-9-5-6-10-24(21)32-25/h5-6,9-14,17,22H,4,7-8,15-16,18H2,1-3H3,(H,28,31)
InChIKeyGRMNLNOYPVOFEH-UHFFFAOYSA-N
MW432.56 g/mol
LogP5.05
Rot. Bonds5

About N-[2-(4-tert-butylphenyl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide

N-[2-(4-tert-butylphenyl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide (PubChem CID 50751397) has the molecular formula C27H32N2O3 and a molecular weight of 432.56 g/mol. Its IUPAC name is N-[2-(4-tert-butylphenyl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-tert-butylphenyl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide
PubChem CID50751397
Molecular FormulaC27H32N2O3
Molecular Weight432.56 g/mol
Exact Mass432.24
IUPAC NameN-[2-(4-tert-butylphenyl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide
SMILESCC(C)(C)c1ccc(C(CNC(=O)c2cc(=O)c3ccccc3o2)N2CCCCC2)cc1
InChIInChI=1S/C27H32N2O3/c1-27(2,3)20-13-11-19(12-14-20)22(29-15-7-4-8-16-29)18-28-26(31)25-17-23(30)21-9-5-6-10-24(21)32-25/h5-6,9-14,17,22H,4,7-8,15-16,18H2,1-3H3,(H,28,31)
InChIKeyGRMNLNOYPVOFEH-UHFFFAOYSA-N
XLogP5.05
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.56
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-bromo-N-[2-(4-tert-butylphenyl)-2-pyrrolidin-1-ylethyl]-4-oxochromene-2-carboxamide;hydrochloride
CID 52988347
N-[2-(4-tert-butylphenyl)-2-pyrrolidin-1-ylethyl]-6-chloro-4-oxochromene-2-carboxamide;hydrochloride
CID 52988291
N-[(2S)-2-(4-tert-butylphenyl)-2-piperidin-1-ylethyl]-6,8-dimethyl-4-oxochromene-2-carboxamide
CID 35671550
N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide
CID 26834088
N-[(2S)-2-(4-tert-butylphenyl)-2-pyrrolidin-1-ylethyl]-7,8-dimethyl-4-oxochromene-2-carboxamide
CID 35576257
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
6-ethyl-N-[(2S)-2-(4-ethylphenyl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide
CID 35671586
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-morpholin-4-ylethyl]-6-chloro-7-methyl-4-oxochromene-2-carboxamide
CID 45155229
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 N-[2-(4-tert-butylphenyl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide?
The IUPAC name of N-[2-(4-tert-butylphenyl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide (CID 50751397) is N-[2-(4-tert-butylphenyl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-[2-(4-tert-butylphenyl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide?
The canonical SMILES for N-[2-(4-tert-butylphenyl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide is CC(C)(C)c1ccc(C(CNC(=O)c2cc(=O)c3ccccc3o2)N2CCCCC2)cc1.
What is the InChIKey of N-[2-(4-tert-butylphenyl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide?
The InChIKey is GRMNLNOYPVOFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O3/c1-27(2,3)20-13-11-19(12-14-20)22(29-15-7-4-8-16-29)18-28-26(31)25-17-23(30)21-9-5-6-10-24(21)32-25/h5-6,9-14,17,22H,4,7-8,15-16,18H2,1-3H3,(H,28,31).
What are the key properties of N-[2-(4-tert-butylphenyl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide?
N-[2-(4-tert-butylphenyl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide has a molecular weight of 432.56 g/mol, XLogP of 5.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-tert-butylphenyl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide is sourced from PubChem (CID 50751397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).