N-(1-benzoylpiperidin-4-yl)-2-chloro-N-(2-methoxyphenyl)acetamide

C21H23ClN2O3 — CID 156727785

IUPACN-(1-benzoylpiperidin-4-yl)-2-chloro-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1N(C(=O)CCl)C1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C21H23ClN2O3/c1-27-19-10-6-5-9-18(19)24(20(25)15-22)17-11-13-23(14-12-17)21(26)16-7-3-2-4-8-16/h2-10,17H,11-15H2,1H3
InChIKeyKBHOPPXFVALUIZ-UHFFFAOYSA-N
MW386.88 g/mol
LogP3.57
Rot. Bonds5

About N-(1-benzoylpiperidin-4-yl)-2-chloro-N-(2-methoxyphenyl)acetamide

N-(1-benzoylpiperidin-4-yl)-2-chloro-N-(2-methoxyphenyl)acetamide (PubChem CID 156727785) has the molecular formula C21H23ClN2O3 and a molecular weight of 386.88 g/mol. Its IUPAC name is N-(1-benzoylpiperidin-4-yl)-2-chloro-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(1-benzoylpiperidin-4-yl)-2-chloro-N-(2-methoxyphenyl)acetamide
PubChem CID156727785
Molecular FormulaC21H23ClN2O3
Molecular Weight386.88 g/mol
Exact Mass386.14
IUPAC NameN-(1-benzoylpiperidin-4-yl)-2-chloro-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1N(C(=O)CCl)C1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C21H23ClN2O3/c1-27-19-10-6-5-9-18(19)24(20(25)15-22)17-11-13-23(14-12-17)21(26)16-7-3-2-4-8-16/h2-10,17H,11-15H2,1H3
InChIKeyKBHOPPXFVALUIZ-UHFFFAOYSA-N
XLogP3.57
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-[4-[(2-methoxyphenyl)methoxy]piperidine-1-carbonyl]benzoic acid
CID 120551630
N-(1-benzoylpiperidin-4-yl)-N-methylacetamide
CID 166180751
[4-(dimethylamino)piperidin-1-yl]-phenylmethanone;ethane;methanamine
CID 54098461
N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-N-phenylbenzamide
CID 46047940
N-[2-(1-benzoylpiperidin-4-yl)ethyl]-3-chloro-4-methoxybenzenesulfonamide
CID 53103863
phenyl-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methanone
CID 1010280
[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 1074740
[4-(methylaminomethyl)piperidin-1-yl]-phenylmethanone
CID 22983162
[4-[(2-methylpropan-2-yl)oxymethyl]piperidin-1-yl]-phenylmethanone
CID 142340211
1-(1-benzoylpiperidin-4-yl)-3-(dimethylamino)propan-1-one
CID 59178266
ethyl 3-[4-(N-acetyl-2-methoxyanilino)piperidin-1-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 11950491
1-benzoyl-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide
CID 110298322

Frequently Asked Questions

What is the IUPAC name of N-(1-benzoylpiperidin-4-yl)-2-chloro-N-(2-methoxyphenyl)acetamide?
The IUPAC name of N-(1-benzoylpiperidin-4-yl)-2-chloro-N-(2-methoxyphenyl)acetamide (CID 156727785) is N-(1-benzoylpiperidin-4-yl)-2-chloro-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for N-(1-benzoylpiperidin-4-yl)-2-chloro-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for N-(1-benzoylpiperidin-4-yl)-2-chloro-N-(2-methoxyphenyl)acetamide is COc1ccccc1N(C(=O)CCl)C1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of N-(1-benzoylpiperidin-4-yl)-2-chloro-N-(2-methoxyphenyl)acetamide?
The InChIKey is KBHOPPXFVALUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O3/c1-27-19-10-6-5-9-18(19)24(20(25)15-22)17-11-13-23(14-12-17)21(26)16-7-3-2-4-8-16/h2-10,17H,11-15H2,1H3.
What are the key properties of N-(1-benzoylpiperidin-4-yl)-2-chloro-N-(2-methoxyphenyl)acetamide?
N-(1-benzoylpiperidin-4-yl)-2-chloro-N-(2-methoxyphenyl)acetamide has a molecular weight of 386.88 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzoylpiperidin-4-yl)-2-chloro-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 156727785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).