N-(1-ethylpiperidin-4-yl)-N-methyl-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide

C24H28N2O3 — CID 78844342

IUPACN-(1-ethylpiperidin-4-yl)-N-methyl-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide
SMILESCCN1CCC(N(C)C(=O)c2ccc3c(c2)CC(c2ccccc2)OC3=O)CC1
InChIInChI=1S/C24H28N2O3/c1-3-26-13-11-20(12-14-26)25(2)23(27)18-9-10-21-19(15-18)16-22(29-24(21)28)17-7-5-4-6-8-17/h4-10,15,20,22H,3,11-14,16H2,1-2H3
InChIKeyDUNMKXCPJDBFSX-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.70
Rot. Bonds4

About N-(1-ethylpiperidin-4-yl)-N-methyl-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide

N-(1-ethylpiperidin-4-yl)-N-methyl-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide (PubChem CID 78844342) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is N-(1-ethylpiperidin-4-yl)-N-methyl-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide.

Molecular Properties

Compound NameN-(1-ethylpiperidin-4-yl)-N-methyl-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide
PubChem CID78844342
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC NameN-(1-ethylpiperidin-4-yl)-N-methyl-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide
SMILESCCN1CCC(N(C)C(=O)c2ccc3c(c2)CC(c2ccccc2)OC3=O)CC1
InChIInChI=1S/C24H28N2O3/c1-3-26-13-11-20(12-14-26)25(2)23(27)18-9-10-21-19(15-18)16-22(29-24(21)28)17-7-5-4-6-8-17/h4-10,15,20,22H,3,11-14,16H2,1-2H3
InChIKeyDUNMKXCPJDBFSX-UHFFFAOYSA-N
XLogP3.70
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N,N-diethyl-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide
CID 34837968
(3R)-N-[(3-fluorophenyl)methyl]-N-methyl-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide
CID 41374048
(3S)-N-(furan-2-ylmethyl)-N-methyl-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide
CID 8852042
(3S)-N-methyl-1-oxo-3-phenyl-N-(thiophen-3-ylmethyl)-3,4-dihydroisochromene-6-carboxamide
CID 41103870
(3S)-N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide
CID 41447586
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide
CID 78819682
N-ethoxy-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide
CID 18169127
3-amino-N-(1-ethylpiperidin-4-yl)-4-fluoro-N-methylbenzamide
CID 43574421
N-cyclopropyl-2-[4-[(3R)-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carbonyl]piperazin-1-yl]acetamide
CID 40803963
6-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-3-phenyl-3,4-dihydroisochromen-1-one
CID 17401516
6-(4-benzyl-1,4-diazepane-1-carbonyl)-3-phenyl-3,4-dihydroisochromen-1-one
CID 18157600
ethyl 4-[[(3R)-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carbonyl]amino]benzoate
CID 7150460

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpiperidin-4-yl)-N-methyl-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide?
The IUPAC name of N-(1-ethylpiperidin-4-yl)-N-methyl-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide (CID 78844342) is N-(1-ethylpiperidin-4-yl)-N-methyl-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide.
What is the SMILES notation for N-(1-ethylpiperidin-4-yl)-N-methyl-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide?
The canonical SMILES for N-(1-ethylpiperidin-4-yl)-N-methyl-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide is CCN1CCC(N(C)C(=O)c2ccc3c(c2)CC(c2ccccc2)OC3=O)CC1.
What is the InChIKey of N-(1-ethylpiperidin-4-yl)-N-methyl-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide?
The InChIKey is DUNMKXCPJDBFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-3-26-13-11-20(12-14-26)25(2)23(27)18-9-10-21-19(15-18)16-22(29-24(21)28)17-7-5-4-6-8-17/h4-10,15,20,22H,3,11-14,16H2,1-2H3.
What are the key properties of N-(1-ethylpiperidin-4-yl)-N-methyl-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide?
N-(1-ethylpiperidin-4-yl)-N-methyl-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide has a molecular weight of 392.50 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpiperidin-4-yl)-N-methyl-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide is sourced from PubChem (CID 78844342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).