N-(2-benzoyl-4-chlorophenyl)-2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetamide

C23H25ClN2O4 — CID 56501325

IUPACN-(2-benzoyl-4-chlorophenyl)-2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetamide
SMILESO=C(CN1CCCCC1C1OCCO1)Nc1ccc(Cl)cc1C(=O)c1ccccc1
InChIInChI=1S/C23H25ClN2O4/c24-17-9-10-19(18(14-17)22(28)16-6-2-1-3-7-16)25-21(27)15-26-11-5-4-8-20(26)23-29-12-13-30-23/h1-3,6-7,9-10,14,20,23H,4-5,8,11-13,15H2,(H,25,27)
InChIKeyUFORRSGBGCOPID-UHFFFAOYSA-N
MW428.92 g/mol
LogP3.74
Rot. Bonds6

About N-(2-benzoyl-4-chlorophenyl)-2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetamide

N-(2-benzoyl-4-chlorophenyl)-2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetamide (PubChem CID 56501325) has the molecular formula C23H25ClN2O4 and a molecular weight of 428.92 g/mol. Its IUPAC name is N-(2-benzoyl-4-chlorophenyl)-2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-benzoyl-4-chlorophenyl)-2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetamide
PubChem CID56501325
Molecular FormulaC23H25ClN2O4
Molecular Weight428.92 g/mol
Exact Mass428.15
IUPAC NameN-(2-benzoyl-4-chlorophenyl)-2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetamide
SMILESO=C(CN1CCCCC1C1OCCO1)Nc1ccc(Cl)cc1C(=O)c1ccccc1
InChIInChI=1S/C23H25ClN2O4/c24-17-9-10-19(18(14-17)22(28)16-6-2-1-3-7-16)25-21(27)15-26-11-5-4-8-20(26)23-29-12-13-30-23/h1-3,6-7,9-10,14,20,23H,4-5,8,11-13,15H2,(H,25,27)
InChIKeyUFORRSGBGCOPID-UHFFFAOYSA-N
XLogP3.74
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.92
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-benzoyl-4-chlorophenyl)-2-piperidin-1-ylacetamide;hydrochloride
CID 3039234
2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-(4-phenylphenyl)acetamide
CID 56500400
N-(2-benzoyl-4-chlorophenyl)-2-[4-(propan-2-ylamino)piperidin-1-yl]acetamide
CID 56569861
N-(2-benzoyl-4-chlorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 100774842
N-(4-chloro-2-fluorophenyl)-3-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]propanamide
CID 56526866
2-[[2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetyl]amino]-N-(2-methylpropyl)benzamide
CID 56500542
N-(2-benzoyl-4-chlorophenyl)-2-iodoacetamide
CID 12500538
N-[1-(4-chlorophenyl)ethyl]-2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetamide
CID 56501329
2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-(2,4-dichlorophenyl)acetamide
CID 11931116
cis-(1R,2S)-2-[(2-benzoyl-4-chlorophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 40548385
N-(2-benzoyl-4-chlorophenyl)-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]acetamide
CID 7940762
2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 56500926

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-4-chlorophenyl)-2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetamide?
The IUPAC name of N-(2-benzoyl-4-chlorophenyl)-2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetamide (CID 56501325) is N-(2-benzoyl-4-chlorophenyl)-2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(2-benzoyl-4-chlorophenyl)-2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(2-benzoyl-4-chlorophenyl)-2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetamide is O=C(CN1CCCCC1C1OCCO1)Nc1ccc(Cl)cc1C(=O)c1ccccc1.
What is the InChIKey of N-(2-benzoyl-4-chlorophenyl)-2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetamide?
The InChIKey is UFORRSGBGCOPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN2O4/c24-17-9-10-19(18(14-17)22(28)16-6-2-1-3-7-16)25-21(27)15-26-11-5-4-8-20(26)23-29-12-13-30-23/h1-3,6-7,9-10,14,20,23H,4-5,8,11-13,15H2,(H,25,27).
What are the key properties of N-(2-benzoyl-4-chlorophenyl)-2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetamide?
N-(2-benzoyl-4-chlorophenyl)-2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetamide has a molecular weight of 428.92 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-4-chlorophenyl)-2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 56501325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).