2-[[2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]acetyl]amino]-N-(2-methylpropyl)benzamide

C27H33N3O5 — CID 26045091

IUPAC2-[[2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]acetyl]amino]-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1ccccc1NC(=O)CN1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1
InChIInChI=1S/C27H33N3O5/c1-18(2)16-28-27(33)21-5-3-4-6-22(21)29-25(31)17-30-11-9-19(10-12-30)26(32)20-7-8-23-24(15-20)35-14-13-34-23/h3-8,15,18-19H,9-14,16-17H2,1-2H3,(H,28,33)(H,29,31)
InChIKeyDPXRKXAYCISGBY-UHFFFAOYSA-N
MW479.58 g/mol
LogP3.38
Rot. Bonds8

About 2-[[2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]acetyl]amino]-N-(2-methylpropyl)benzamide

2-[[2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]acetyl]amino]-N-(2-methylpropyl)benzamide (PubChem CID 26045091) has the molecular formula C27H33N3O5 and a molecular weight of 479.58 g/mol. Its IUPAC name is 2-[[2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]acetyl]amino]-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name2-[[2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]acetyl]amino]-N-(2-methylpropyl)benzamide
PubChem CID26045091
Molecular FormulaC27H33N3O5
Molecular Weight479.58 g/mol
Exact Mass479.24
IUPAC Name2-[[2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]acetyl]amino]-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1ccccc1NC(=O)CN1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1
InChIInChI=1S/C27H33N3O5/c1-18(2)16-28-27(33)21-5-3-4-6-22(21)29-25(31)17-30-11-9-19(10-12-30)26(32)20-7-8-23-24(15-20)35-14-13-34-23/h3-8,15,18-19H,9-14,16-17H2,1-2H3,(H,28,33)(H,29,31)
InChIKeyDPXRKXAYCISGBY-UHFFFAOYSA-N
XLogP3.38
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.58
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]acetyl]amino]-N-(2-methylpropyl)benzamide with MolForge

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Related Compounds

2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-N-(2-ethoxyphenyl)acetamide
CID 1437915
2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-N-(2-propoxyphenyl)acetamide
CID 18142968
2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-N-(4-phenylphenyl)acetamide
CID 26044080
N-(2,6-dichlorophenyl)-2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]acetamide
CID 26043935
2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 18142936
2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-N-prop-2-enylacetamide
CID 3682627
3-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-N-(1-phenylethyl)propanamide
CID 43065643
2-[[2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetyl]amino]-N-(2-methylpropyl)benzamide
CID 56500542
2-[[2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]acetyl]amino]-N-(2-methylpropyl)benzamide
CID 55840290
2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-N-(2-ethoxyphenyl)propanamide
CID 42883794
2-[[2-[4-(4-chlorobenzoyl)piperidin-1-yl]acetyl]amino]-N-phenylbenzamide
CID 55989512
2-[4-[2-[(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-2-oxoethyl]piperazin-1-yl]-N-(2-methylpropyl)acetamide
CID 24568587

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]acetyl]amino]-N-(2-methylpropyl)benzamide?
The IUPAC name of 2-[[2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]acetyl]amino]-N-(2-methylpropyl)benzamide (CID 26045091) is 2-[[2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]acetyl]amino]-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 2-[[2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]acetyl]amino]-N-(2-methylpropyl)benzamide?
The canonical SMILES for 2-[[2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]acetyl]amino]-N-(2-methylpropyl)benzamide is CC(C)CNC(=O)c1ccccc1NC(=O)CN1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1.
What is the InChIKey of 2-[[2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]acetyl]amino]-N-(2-methylpropyl)benzamide?
The InChIKey is DPXRKXAYCISGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O5/c1-18(2)16-28-27(33)21-5-3-4-6-22(21)29-25(31)17-30-11-9-19(10-12-30)26(32)20-7-8-23-24(15-20)35-14-13-34-23/h3-8,15,18-19H,9-14,16-17H2,1-2H3,(H,28,33)(H,29,31).
What are the key properties of 2-[[2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]acetyl]amino]-N-(2-methylpropyl)benzamide?
2-[[2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]acetyl]amino]-N-(2-methylpropyl)benzamide has a molecular weight of 479.58 g/mol, XLogP of 3.38, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]acetyl]amino]-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 26045091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).