6,8-dimethyl-4-oxo-N-[2-piperidin-1-yl-2-(4-propan-2-ylphenyl)ethyl]chromene-2-carboxamide;hydrochloride

C28H35ClN2O3 — CID 52988443

IUPAC6,8-dimethyl-4-oxo-N-[2-piperidin-1-yl-2-(4-propan-2-ylphenyl)ethyl]chromene-2-carboxamide;hydrochloride
SMILESCc1cc(C)c2oc(C(=O)NCC(c3ccc(C(C)C)cc3)N3CCCCC3)cc(=O)c2c1.Cl
InChIInChI=1S/C28H34N2O3.ClH/c1-18(2)21-8-10-22(11-9-21)24(30-12-6-5-7-13-30)17-29-28(32)26-16-25(31)23-15-19(3)14-20(4)27(23)33-26;/h8-11,14-16,18,24H,5-7,12-13,17H2,1-4H3,(H,29,32);1H
InChIKeyBJCXXLKITGCWFT-UHFFFAOYSA-N
MW483.05 g/mol
LogP5.91
Rot. Bonds6

About 6,8-dimethyl-4-oxo-N-[2-piperidin-1-yl-2-(4-propan-2-ylphenyl)ethyl]chromene-2-carboxamide;hydrochloride

6,8-dimethyl-4-oxo-N-[2-piperidin-1-yl-2-(4-propan-2-ylphenyl)ethyl]chromene-2-carboxamide;hydrochloride (PubChem CID 52988443) has the molecular formula C28H35ClN2O3 and a molecular weight of 483.05 g/mol. Its IUPAC name is 6,8-dimethyl-4-oxo-N-[2-piperidin-1-yl-2-(4-propan-2-ylphenyl)ethyl]chromene-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name6,8-dimethyl-4-oxo-N-[2-piperidin-1-yl-2-(4-propan-2-ylphenyl)ethyl]chromene-2-carboxamide;hydrochloride
PubChem CID52988443
Molecular FormulaC28H35ClN2O3
Molecular Weight483.05 g/mol
Exact Mass482.23
IUPAC Name6,8-dimethyl-4-oxo-N-[2-piperidin-1-yl-2-(4-propan-2-ylphenyl)ethyl]chromene-2-carboxamide;hydrochloride
SMILESCc1cc(C)c2oc(C(=O)NCC(c3ccc(C(C)C)cc3)N3CCCCC3)cc(=O)c2c1.Cl
InChIInChI=1S/C28H34N2O3.ClH/c1-18(2)21-8-10-22(11-9-21)24(30-12-6-5-7-13-30)17-29-28(32)26-16-25(31)23-15-19(3)14-20(4)27(23)33-26;/h8-11,14-16,18,24H,5-7,12-13,17H2,1-4H3,(H,29,32);1H
InChIKeyBJCXXLKITGCWFT-UHFFFAOYSA-N
XLogP5.91
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.05
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6,8-dimethyl-4-oxo-N-[2-piperidin-1-yl-2-(4-propan-2-ylphenyl)ethyl]chromene-2-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2S)-2-(4-tert-butylphenyl)-2-piperidin-1-ylethyl]-6,8-dimethyl-4-oxochromene-2-carboxamide
CID 35671550
N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-6,8-dimethyl-4-oxochromene-2-carboxamide
CID 35574687
N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-6,8-dimethyl-4-oxochromene-2-carboxamide;hydrochloride
CID 146052473
N-[(2S)-2-(2-chlorophenyl)-2-piperidin-1-ylethyl]-6,8-dimethyl-4-oxochromene-2-carboxamide
CID 35574690
N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-6,8-dimethyl-4-oxochromene-2-carboxamide
CID 43843789
N-[(2R)-2-(4-tert-butylphenyl)-2-morpholin-4-ylethyl]-6,8-dimethyl-4-oxochromene-2-carboxamide
CID 35577753
6-chloro-7-methyl-4-oxo-N-[(2S)-2-piperidin-1-yl-2-(4-propan-2-ylphenyl)ethyl]chromene-2-carboxamide
CID 35578842
6-chloro-7-methyl-4-oxo-N-[(2R)-2-piperidin-1-yl-2-(4-propan-2-ylphenyl)ethyl]chromene-2-carboxamide
CID 35578846
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-[(2S)-2-(4-tert-butylphenyl)-2-pyrrolidin-1-ylethyl]-7,8-dimethyl-4-oxochromene-2-carboxamide
CID 35576257
6,8-dimethyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-4-oxochromene-2-carboxamide
CID 35574751

Frequently Asked Questions

What is the IUPAC name of 6,8-dimethyl-4-oxo-N-[2-piperidin-1-yl-2-(4-propan-2-ylphenyl)ethyl]chromene-2-carboxamide;hydrochloride?
The IUPAC name of 6,8-dimethyl-4-oxo-N-[2-piperidin-1-yl-2-(4-propan-2-ylphenyl)ethyl]chromene-2-carboxamide;hydrochloride (CID 52988443) is 6,8-dimethyl-4-oxo-N-[2-piperidin-1-yl-2-(4-propan-2-ylphenyl)ethyl]chromene-2-carboxamide;hydrochloride.
What is the SMILES notation for 6,8-dimethyl-4-oxo-N-[2-piperidin-1-yl-2-(4-propan-2-ylphenyl)ethyl]chromene-2-carboxamide;hydrochloride?
The canonical SMILES for 6,8-dimethyl-4-oxo-N-[2-piperidin-1-yl-2-(4-propan-2-ylphenyl)ethyl]chromene-2-carboxamide;hydrochloride is Cc1cc(C)c2oc(C(=O)NCC(c3ccc(C(C)C)cc3)N3CCCCC3)cc(=O)c2c1.Cl.
What is the InChIKey of 6,8-dimethyl-4-oxo-N-[2-piperidin-1-yl-2-(4-propan-2-ylphenyl)ethyl]chromene-2-carboxamide;hydrochloride?
The InChIKey is BJCXXLKITGCWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O3.ClH/c1-18(2)21-8-10-22(11-9-21)24(30-12-6-5-7-13-30)17-29-28(32)26-16-25(31)23-15-19(3)14-20(4)27(23)33-26;/h8-11,14-16,18,24H,5-7,12-13,17H2,1-4H3,(H,29,32);1H.
What are the key properties of 6,8-dimethyl-4-oxo-N-[2-piperidin-1-yl-2-(4-propan-2-ylphenyl)ethyl]chromene-2-carboxamide;hydrochloride?
6,8-dimethyl-4-oxo-N-[2-piperidin-1-yl-2-(4-propan-2-ylphenyl)ethyl]chromene-2-carboxamide;hydrochloride has a molecular weight of 483.05 g/mol, XLogP of 5.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethyl-4-oxo-N-[2-piperidin-1-yl-2-(4-propan-2-ylphenyl)ethyl]chromene-2-carboxamide;hydrochloride is sourced from PubChem (CID 52988443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).