N-[1-(1-oxo-3-phenyl-3,4-dihydroisochromene-6-carbonyl)piperidin-3-yl]acetamide

C23H24N2O4 — CID 78892018

IUPACN-[1-(1-oxo-3-phenyl-3,4-dihydroisochromene-6-carbonyl)piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCCN(C(=O)c2ccc3c(c2)CC(c2ccccc2)OC3=O)C1
InChIInChI=1S/C23H24N2O4/c1-15(26)24-19-8-5-11-25(14-19)22(27)17-9-10-20-18(12-17)13-21(29-23(20)28)16-6-3-2-4-7-16/h2-4,6-7,9-10,12,19,21H,5,8,11,13-14H2,1H3,(H,24,26)
InChIKeyUFYAOCHUDAIUPX-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.88
Rot. Bonds3

About N-[1-(1-oxo-3-phenyl-3,4-dihydroisochromene-6-carbonyl)piperidin-3-yl]acetamide

N-[1-(1-oxo-3-phenyl-3,4-dihydroisochromene-6-carbonyl)piperidin-3-yl]acetamide (PubChem CID 78892018) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-[1-(1-oxo-3-phenyl-3,4-dihydroisochromene-6-carbonyl)piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-(1-oxo-3-phenyl-3,4-dihydroisochromene-6-carbonyl)piperidin-3-yl]acetamide
PubChem CID78892018
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC NameN-[1-(1-oxo-3-phenyl-3,4-dihydroisochromene-6-carbonyl)piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCCN(C(=O)c2ccc3c(c2)CC(c2ccccc2)OC3=O)C1
InChIInChI=1S/C23H24N2O4/c1-15(26)24-19-8-5-11-25(14-19)22(27)17-9-10-20-18(12-17)13-21(29-23(20)28)16-6-3-2-4-7-16/h2-4,6-7,9-10,12,19,21H,5,8,11,13-14H2,1H3,(H,24,26)
InChIKeyUFYAOCHUDAIUPX-UHFFFAOYSA-N
XLogP2.88
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-phenyl-6-(piperidine-1-carbonyl)-3,4-dihydroisochromen-1-one
CID 41360286
N-cyclohexyl-4-(1-oxo-3-phenyl-3,4-dihydroisochromene-6-carbonyl)piperazine-1-carboxamide
CID 166183686
6-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-3-phenyl-3,4-dihydroisochromen-1-one
CID 17401516
N-cyclopropyl-2-[4-[(3R)-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carbonyl]piperazin-1-yl]acetamide
CID 40803963
4-(3-acetamidopiperidine-1-carbonyl)benzoic acid
CID 126774407
6-(4-benzyl-1,4-diazepane-1-carbonyl)-3-phenyl-3,4-dihydroisochromen-1-one
CID 18157600
N-[1-(3,4-difluorobenzoyl)piperidin-3-yl]acetamide
CID 47250997
N-(4-fluorophenyl)-4-[(3R)-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carbonyl]piperazine-1-carboxamide
CID 37443338
3-phenyl-6-[2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazine-4-carbonyl]-3,4-dihydroisochromen-1-one
CID 154835449
3-phenyl-6-(spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-carbonyl)-3,4-dihydroisochromen-1-one
CID 154838480
6-(3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carbonyl)-3-phenyl-3,4-dihydroisochromen-1-one
CID 154838857
N-[1-(2,3-dihydro-1H-indole-5-carbonyl)piperidin-3-yl]acetamide
CID 60947810

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-oxo-3-phenyl-3,4-dihydroisochromene-6-carbonyl)piperidin-3-yl]acetamide?
The IUPAC name of N-[1-(1-oxo-3-phenyl-3,4-dihydroisochromene-6-carbonyl)piperidin-3-yl]acetamide (CID 78892018) is N-[1-(1-oxo-3-phenyl-3,4-dihydroisochromene-6-carbonyl)piperidin-3-yl]acetamide.
What is the SMILES notation for N-[1-(1-oxo-3-phenyl-3,4-dihydroisochromene-6-carbonyl)piperidin-3-yl]acetamide?
The canonical SMILES for N-[1-(1-oxo-3-phenyl-3,4-dihydroisochromene-6-carbonyl)piperidin-3-yl]acetamide is CC(=O)NC1CCCN(C(=O)c2ccc3c(c2)CC(c2ccccc2)OC3=O)C1.
What is the InChIKey of N-[1-(1-oxo-3-phenyl-3,4-dihydroisochromene-6-carbonyl)piperidin-3-yl]acetamide?
The InChIKey is UFYAOCHUDAIUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-15(26)24-19-8-5-11-25(14-19)22(27)17-9-10-20-18(12-17)13-21(29-23(20)28)16-6-3-2-4-7-16/h2-4,6-7,9-10,12,19,21H,5,8,11,13-14H2,1H3,(H,24,26).
What are the key properties of N-[1-(1-oxo-3-phenyl-3,4-dihydroisochromene-6-carbonyl)piperidin-3-yl]acetamide?
N-[1-(1-oxo-3-phenyl-3,4-dihydroisochromene-6-carbonyl)piperidin-3-yl]acetamide has a molecular weight of 392.46 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-oxo-3-phenyl-3,4-dihydroisochromene-6-carbonyl)piperidin-3-yl]acetamide is sourced from PubChem (CID 78892018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).