5-chloro-2-methoxy-N-[2-(4-piperidin-1-ylphenyl)ethyl]benzamide

C21H25ClN2O2 — CID 16890087

IUPAC5-chloro-2-methoxy-N-[2-(4-piperidin-1-ylphenyl)ethyl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCCc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C21H25ClN2O2/c1-26-20-10-7-17(22)15-19(20)21(25)23-12-11-16-5-8-18(9-6-16)24-13-3-2-4-14-24/h5-10,15H,2-4,11-14H2,1H3,(H,23,25)
InChIKeyBQMASAQRZXGBHQ-UHFFFAOYSA-N
MW372.90 g/mol
LogP4.31
Rot. Bonds6

About 5-chloro-2-methoxy-N-[2-(4-piperidin-1-ylphenyl)ethyl]benzamide

5-chloro-2-methoxy-N-[2-(4-piperidin-1-ylphenyl)ethyl]benzamide (PubChem CID 16890087) has the molecular formula C21H25ClN2O2 and a molecular weight of 372.90 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[2-(4-piperidin-1-ylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[2-(4-piperidin-1-ylphenyl)ethyl]benzamide
PubChem CID16890087
Molecular FormulaC21H25ClN2O2
Molecular Weight372.90 g/mol
Exact Mass372.16
IUPAC Name5-chloro-2-methoxy-N-[2-(4-piperidin-1-ylphenyl)ethyl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCCc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C21H25ClN2O2/c1-26-20-10-7-17(22)15-19(20)21(25)23-12-11-16-5-8-18(9-6-16)24-13-3-2-4-14-24/h5-10,15H,2-4,11-14H2,1H3,(H,23,25)
InChIKeyBQMASAQRZXGBHQ-UHFFFAOYSA-N
XLogP4.31
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2,5-dichloro-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]benzamide
CID 16889501
5-chloro-N-[2-(4-chlorophenyl)ethyl]-2-methoxybenzamide
CID 9113269
5-chloro-N-[2-(4-iodophenyl)ethyl]-2-methoxybenzamide
CID 10645534
2-[4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]phenyl]acetic acid
CID 23453045
N-[2-[4-(azepan-1-yl)phenyl]ethyl]-2,3-dimethoxybenzamide
CID 16889313
methyl 4-[2-[[2-(azonan-1-yl)-5-chlorobenzoyl]amino]ethyl]-2-methoxybenzoate
CID 10838212
5-chloro-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-2-methoxybenzamide
CID 42273491
2-(azonan-1-yl)-5-chloro-N-[2-(4-methylphenyl)ethyl]benzamide;hydrochloride
CID 70532427
5-chloro-2-methoxy-N-[2-(4-methylsulfonylphenyl)ethyl]benzamide
CID 170994520
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyrrolidin-1-ylbenzamide
CID 110295138
2-[4-[4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]phenyl]phenyl]acetic acid
CID 25269110
2-(4-chlorophenyl)-N-[2-(4-piperidin-1-ylphenyl)ethyl]acetamide
CID 16890076

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[2-(4-piperidin-1-ylphenyl)ethyl]benzamide?
The IUPAC name of 5-chloro-2-methoxy-N-[2-(4-piperidin-1-ylphenyl)ethyl]benzamide (CID 16890087) is 5-chloro-2-methoxy-N-[2-(4-piperidin-1-ylphenyl)ethyl]benzamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-[2-(4-piperidin-1-ylphenyl)ethyl]benzamide?
The canonical SMILES for 5-chloro-2-methoxy-N-[2-(4-piperidin-1-ylphenyl)ethyl]benzamide is COc1ccc(Cl)cc1C(=O)NCCc1ccc(N2CCCCC2)cc1.
What is the InChIKey of 5-chloro-2-methoxy-N-[2-(4-piperidin-1-ylphenyl)ethyl]benzamide?
The InChIKey is BQMASAQRZXGBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O2/c1-26-20-10-7-17(22)15-19(20)21(25)23-12-11-16-5-8-18(9-6-16)24-13-3-2-4-14-24/h5-10,15H,2-4,11-14H2,1H3,(H,23,25).
What are the key properties of 5-chloro-2-methoxy-N-[2-(4-piperidin-1-ylphenyl)ethyl]benzamide?
5-chloro-2-methoxy-N-[2-(4-piperidin-1-ylphenyl)ethyl]benzamide has a molecular weight of 372.90 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[2-(4-piperidin-1-ylphenyl)ethyl]benzamide is sourced from PubChem (CID 16890087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).