2-[[2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetyl]amino]-N-(2-methylpropyl)benzamide

C21H31N3O4 — CID 56500542

IUPAC2-[[2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetyl]amino]-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1ccccc1NC(=O)CN1CCCCC1C1OCCO1
InChIInChI=1S/C21H31N3O4/c1-15(2)13-22-20(26)16-7-3-4-8-17(16)23-19(25)14-24-10-6-5-9-18(24)21-27-11-12-28-21/h3-4,7-8,15,18,21H,5-6,9-14H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyCNIBYZBFDPTGKX-UHFFFAOYSA-N
MW389.50 g/mol
LogP2.24
Rot. Bonds7

About 2-[[2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetyl]amino]-N-(2-methylpropyl)benzamide

2-[[2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetyl]amino]-N-(2-methylpropyl)benzamide (PubChem CID 56500542) has the molecular formula C21H31N3O4 and a molecular weight of 389.50 g/mol. Its IUPAC name is 2-[[2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetyl]amino]-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name2-[[2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetyl]amino]-N-(2-methylpropyl)benzamide
PubChem CID56500542
Molecular FormulaC21H31N3O4
Molecular Weight389.50 g/mol
Exact Mass389.23
IUPAC Name2-[[2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetyl]amino]-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1ccccc1NC(=O)CN1CCCCC1C1OCCO1
InChIInChI=1S/C21H31N3O4/c1-15(2)13-22-20(26)16-7-3-4-8-17(16)23-19(25)14-24-10-6-5-9-18(24)21-27-11-12-28-21/h3-4,7-8,15,18,21H,5-6,9-14H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyCNIBYZBFDPTGKX-UHFFFAOYSA-N
XLogP2.24
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 56500926
2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-(4-phenylphenyl)acetamide
CID 56500400
N-(2-benzoyl-4-chlorophenyl)-2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetamide
CID 56501325
2-[[2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]acetyl]amino]-N-(2-methylpropyl)benzamide
CID 26045091
N-[1-(4-chlorophenyl)ethyl]-2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetamide
CID 56501329
1-methyl-N-[2-(2-methylpropylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 132650704
N-(2-methylpropyl)-2-[[2-(propan-2-ylamino)acetyl]amino]benzamide
CID 60683064
[2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 2-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]acetate
CID 31124735
2-(butanoylamino)-N-(2-methylpropyl)benzamide
CID 37034782
N-(2-methylpropyl)-2-[(2-morpholin-2-ylacetyl)amino]benzamide;hydrochloride
CID 119684646
ethyl 4-[[2-(2-methylpropylcarbamoyl)phenyl]carbamoyl]piperidine-1-carboxylate
CID 34729529
2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 56501460

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetyl]amino]-N-(2-methylpropyl)benzamide?
The IUPAC name of 2-[[2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetyl]amino]-N-(2-methylpropyl)benzamide (CID 56500542) is 2-[[2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetyl]amino]-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 2-[[2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetyl]amino]-N-(2-methylpropyl)benzamide?
The canonical SMILES for 2-[[2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetyl]amino]-N-(2-methylpropyl)benzamide is CC(C)CNC(=O)c1ccccc1NC(=O)CN1CCCCC1C1OCCO1.
What is the InChIKey of 2-[[2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetyl]amino]-N-(2-methylpropyl)benzamide?
The InChIKey is CNIBYZBFDPTGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O4/c1-15(2)13-22-20(26)16-7-3-4-8-17(16)23-19(25)14-24-10-6-5-9-18(24)21-27-11-12-28-21/h3-4,7-8,15,18,21H,5-6,9-14H2,1-2H3,(H,22,26)(H,23,25).
What are the key properties of 2-[[2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetyl]amino]-N-(2-methylpropyl)benzamide?
2-[[2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetyl]amino]-N-(2-methylpropyl)benzamide has a molecular weight of 389.50 g/mol, XLogP of 2.24, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetyl]amino]-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 56500542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).