N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]acetamide

C23H26N2O4 — CID 644916

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]acetamide
SMILESCc1ccc(C(=O)C2CCN(CC(=O)Nc3ccc4c(c3)OCCO4)CC2)cc1
InChIInChI=1S/C23H26N2O4/c1-16-2-4-17(5-3-16)23(27)18-8-10-25(11-9-18)15-22(26)24-19-6-7-20-21(14-19)29-13-12-28-20/h2-7,14,18H,8-13,15H2,1H3,(H,24,26)
InChIKeyQXQWWSWIHDDHLV-UHFFFAOYSA-N
MW394.47 g/mol
LogP3.30
Rot. Bonds5

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]acetamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]acetamide (PubChem CID 644916) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]acetamide
PubChem CID644916
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]acetamide
SMILESCc1ccc(C(=O)C2CCN(CC(=O)Nc3ccc4c(c3)OCCO4)CC2)cc1
InChIInChI=1S/C23H26N2O4/c1-16-2-4-17(5-3-16)23(27)18-8-10-25(11-9-18)15-22(26)24-19-6-7-20-21(14-19)29-13-12-28-20/h2-7,14,18H,8-13,15H2,1H3,(H,24,26)
InChIKeyQXQWWSWIHDDHLV-UHFFFAOYSA-N
XLogP3.30
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Amg-9810
CID 680502
Cid_4076092
CID 4076092
3-(2,3-Dihydro-1,4-benzodioxin-6-ylamino)-1-(4-methoxyphenyl)-1-propanone
CID 766936
N-(2-aminophenyl)-4-{[(3,4-dimethoxyphenyl)amino]methyl}benzamide
CID 15984110
N-(3-Methoxy-phenyl)-4-(4-phenyl-piperazin-1-ylmethyl)-benzamide
CID 653541
N-{2-[4-(2,3-Dihydro-benzo[1,4]dioxin-5-yl)-piperazin-1-yl]-ethyl}-4-fluoro-benzamide
CID 10430183
1-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-4-(4-methylphenyl)-2H-pyrrol-5-one
CID 24888184
N-{2-[4-(2,3-Dihydro-benzo[1,4]dioxin-5-yl)-2,6-dimethyl-piperazin-1-yl]-ethyl}-4-fluoro-benzamide
CID 44336170
N-(2,3-Dihydro-1,4-benzodioxin-6-yl)-3-ethoxybenzamide
CID 739217
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-propoxybenzamide
CID 2173748
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylbenzamide
CID 769398
CeMMEC13
CID 110694558

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]acetamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]acetamide (CID 644916) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]acetamide is Cc1ccc(C(=O)C2CCN(CC(=O)Nc3ccc4c(c3)OCCO4)CC2)cc1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]acetamide?
The InChIKey is QXQWWSWIHDDHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-16-2-4-17(5-3-16)23(27)18-8-10-25(11-9-18)15-22(26)24-19-6-7-20-21(14-19)29-13-12-28-20/h2-7,14,18H,8-13,15H2,1H3,(H,24,26).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]acetamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]acetamide has a molecular weight of 394.47 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 644916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).