N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-2-methoxybenzamide

C21H23ClN2O3 — CID 108559283

IUPACN-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NC1CCN(C(=O)Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H23ClN2O3/c1-27-19-5-3-2-4-18(19)21(26)23-17-10-12-24(13-11-17)20(25)14-15-6-8-16(22)9-7-15/h2-9,17H,10-14H2,1H3,(H,23,26)
InChIKeyJUODQXBKROPQQT-UHFFFAOYSA-N
MW386.88 g/mol
LogP3.31
Rot. Bonds5

About N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-2-methoxybenzamide

N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-2-methoxybenzamide (PubChem CID 108559283) has the molecular formula C21H23ClN2O3 and a molecular weight of 386.88 g/mol. Its IUPAC name is N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-2-methoxybenzamide
PubChem CID108559283
Molecular FormulaC21H23ClN2O3
Molecular Weight386.88 g/mol
Exact Mass386.14
IUPAC NameN-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NC1CCN(C(=O)Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H23ClN2O3/c1-27-19-5-3-2-4-18(19)21(26)23-17-10-12-24(13-11-17)20(25)14-15-6-8-16(22)9-7-15/h2-9,17H,10-14H2,1H3,(H,23,26)
InChIKeyJUODQXBKROPQQT-UHFFFAOYSA-N
XLogP3.31
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-2-sulfanylbenzamide
CID 108561610
N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]naphthalene-1-carboxamide
CID 108561362
N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-2-(trifluoromethyl)benzamide
CID 108561767
2-[[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]carbamoyl]benzoic acid
CID 113083190
2,5-dichloro-N-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]benzamide
CID 108554575
N-[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-4-yl]-2-methoxybenzamide
CID 108549245
2-methoxy-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide
CID 108549234
N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-2-methoxybenzamide
CID 108549239
ethyl 4-[[2-[(4-chlorophenyl)methoxy]benzoyl]amino]piperidine-1-carboxylate
CID 43010715
2-methoxy-N-[4-[(2-methoxybenzoyl)amino]cyclohexyl]benzamide
CID 1235931
N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-2-(4-fluorophenyl)acetamide
CID 108559477
N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-methoxybenzamide
CID 110820045

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-2-methoxybenzamide?
The IUPAC name of N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-2-methoxybenzamide (CID 108559283) is N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-2-methoxybenzamide.
What is the SMILES notation for N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-2-methoxybenzamide?
The canonical SMILES for N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-2-methoxybenzamide is COc1ccccc1C(=O)NC1CCN(C(=O)Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-2-methoxybenzamide?
The InChIKey is JUODQXBKROPQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O3/c1-27-19-5-3-2-4-18(19)21(26)23-17-10-12-24(13-11-17)20(25)14-15-6-8-16(22)9-7-15/h2-9,17H,10-14H2,1H3,(H,23,26).
What are the key properties of N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-2-methoxybenzamide?
N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-2-methoxybenzamide has a molecular weight of 386.88 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-2-methoxybenzamide is sourced from PubChem (CID 108559283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).