2-[3-(3,4-dimethylanilino)piperidine-1-carbonyl]chromen-4-one

C23H24N2O3 — CID 45240420

IUPAC2-[3-(3,4-dimethylanilino)piperidine-1-carbonyl]chromen-4-one
SMILESCc1ccc(NC2CCCN(C(=O)c3cc(=O)c4ccccc4o3)C2)cc1C
InChIInChI=1S/C23H24N2O3/c1-15-9-10-17(12-16(15)2)24-18-6-5-11-25(14-18)23(27)22-13-20(26)19-7-3-4-8-21(19)28-22/h3-4,7-10,12-13,18,24H,5-6,11,14H2,1-2H3
InChIKeyPPHOXHMADDWBII-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.13
Rot. Bonds3

About 2-[3-(3,4-dimethylanilino)piperidine-1-carbonyl]chromen-4-one

2-[3-(3,4-dimethylanilino)piperidine-1-carbonyl]chromen-4-one (PubChem CID 45240420) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-[3-(3,4-dimethylanilino)piperidine-1-carbonyl]chromen-4-one.

Molecular Properties

Compound Name2-[3-(3,4-dimethylanilino)piperidine-1-carbonyl]chromen-4-one
PubChem CID45240420
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name2-[3-(3,4-dimethylanilino)piperidine-1-carbonyl]chromen-4-one
SMILESCc1ccc(NC2CCCN(C(=O)c3cc(=O)c4ccccc4o3)C2)cc1C
InChIInChI=1S/C23H24N2O3/c1-15-9-10-17(12-16(15)2)24-18-6-5-11-25(14-18)23(27)22-13-20(26)19-7-3-4-8-21(19)28-22/h3-4,7-10,12-13,18,24H,5-6,11,14H2,1-2H3
InChIKeyPPHOXHMADDWBII-UHFFFAOYSA-N
XLogP4.13
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzofuran-2-yl-[(3R)-3-(4-methoxyanilino)piperidin-1-yl]methanone
CID 42532487
2-[(3R)-3-ethoxypiperidine-1-carbonyl]chromen-4-one
CID 95582758
2-[(3S)-3-ethoxypiperidine-1-carbonyl]chromen-4-one
CID 95582759
2-[3-(1-aminoethyl)pyrrolidine-1-carbonyl]chromen-4-one
CID 115969507
(3R)-3-(3,4-dimethylanilino)-N-(2,3-dimethylphenyl)piperidine-1-carboxamide
CID 42512757
cyclopentyl-[3-(3,4-dimethylanilino)piperidin-1-yl]methanone
CID 24792136
1-[(3S)-3-(3,4-dimethylanilino)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 42458121
2-[(3R)-3-(6-methylpyrazin-2-yl)piperidine-1-carbonyl]chromen-4-one
CID 124947056
[(3S)-3-(3,4-dimethylanilino)piperidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 42199059
2-(4-methylpiperidine-1-carbonyl)chromen-4-one
CID 26773752
2-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]chromen-4-one
CID 115966240
(3,4-dimethoxyphenyl)-[(3R)-3-(3,4-dimethylanilino)piperidin-1-yl]methanone
CID 42509571

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,4-dimethylanilino)piperidine-1-carbonyl]chromen-4-one?
The IUPAC name of 2-[3-(3,4-dimethylanilino)piperidine-1-carbonyl]chromen-4-one (CID 45240420) is 2-[3-(3,4-dimethylanilino)piperidine-1-carbonyl]chromen-4-one.
What is the SMILES notation for 2-[3-(3,4-dimethylanilino)piperidine-1-carbonyl]chromen-4-one?
The canonical SMILES for 2-[3-(3,4-dimethylanilino)piperidine-1-carbonyl]chromen-4-one is Cc1ccc(NC2CCCN(C(=O)c3cc(=O)c4ccccc4o3)C2)cc1C.
What is the InChIKey of 2-[3-(3,4-dimethylanilino)piperidine-1-carbonyl]chromen-4-one?
The InChIKey is PPHOXHMADDWBII-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-15-9-10-17(12-16(15)2)24-18-6-5-11-25(14-18)23(27)22-13-20(26)19-7-3-4-8-21(19)28-22/h3-4,7-10,12-13,18,24H,5-6,11,14H2,1-2H3.
What are the key properties of 2-[3-(3,4-dimethylanilino)piperidine-1-carbonyl]chromen-4-one?
2-[3-(3,4-dimethylanilino)piperidine-1-carbonyl]chromen-4-one has a molecular weight of 376.46 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,4-dimethylanilino)piperidine-1-carbonyl]chromen-4-one is sourced from PubChem (CID 45240420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).