3-(3-formyl-4-hydroxyphenyl)-N-(2-piperidin-1-ylethyl)benzamide;hydrochloride

C21H25ClN2O3 — CID 170991948

IUPAC3-(3-formyl-4-hydroxyphenyl)-N-(2-piperidin-1-ylethyl)benzamide;hydrochloride
SMILESCl.O=Cc1cc(-c2cccc(C(=O)NCCN3CCCCC3)c2)ccc1O
InChIInChI=1S/C21H24N2O3.ClH/c24-15-19-14-17(7-8-20(19)25)16-5-4-6-18(13-16)21(26)22-9-12-23-10-2-1-3-11-23;/h4-8,13-15,25H,1-3,9-12H2,(H,22,26);1H
InChIKeyKBERMWZGBGXZGY-UHFFFAOYSA-N
MW388.90 g/mol
LogP3.51
Rot. Bonds6

About 3-(3-formyl-4-hydroxyphenyl)-N-(2-piperidin-1-ylethyl)benzamide;hydrochloride

3-(3-formyl-4-hydroxyphenyl)-N-(2-piperidin-1-ylethyl)benzamide;hydrochloride (PubChem CID 170991948) has the molecular formula C21H25ClN2O3 and a molecular weight of 388.90 g/mol. Its IUPAC name is 3-(3-formyl-4-hydroxyphenyl)-N-(2-piperidin-1-ylethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name3-(3-formyl-4-hydroxyphenyl)-N-(2-piperidin-1-ylethyl)benzamide;hydrochloride
PubChem CID170991948
Molecular FormulaC21H25ClN2O3
Molecular Weight388.90 g/mol
Exact Mass388.16
IUPAC Name3-(3-formyl-4-hydroxyphenyl)-N-(2-piperidin-1-ylethyl)benzamide;hydrochloride
SMILESCl.O=Cc1cc(-c2cccc(C(=O)NCCN3CCCCC3)c2)ccc1O
InChIInChI=1S/C21H24N2O3.ClH/c24-15-19-14-17(7-8-20(19)25)16-5-4-6-18(13-16)21(26)22-9-12-23-10-2-1-3-11-23;/h4-8,13-15,25H,1-3,9-12H2,(H,22,26);1H
InChIKeyKBERMWZGBGXZGY-UHFFFAOYSA-N
XLogP3.51
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N-(2-piperidin-1-ylethyl)benzamide;hydrochloride
CID 126477808
3-chloro-N-(2-piperidin-1-ylethyl)benzamide
CID 4581034
3-amino-N-(2-pyrrolidin-1-ylethyl)benzamide;dihydrochloride
CID 119834336
3-iodo-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 60682573
3-(6-aminopyrimidin-4-yl)-N-(2-piperidin-1-ylethyl)benzamide
CID 118760625
3-hydroxy-4-iodo-N-(2-piperidin-1-ylethyl)benzamide
CID 104627715
3-[3-(dimethylamino)pyrazin-2-yl]-N-(2-piperidin-1-ylethyl)benzamide
CID 50847599
2-hydroxy-5-[3-(4-morpholin-4-ylbutanoyl)phenyl]benzaldehyde
CID 89218582
3,4-dimethyl-N-(2-piperidin-1-ylethyl)benzamide
CID 25237097
4-[3-[[(2-aminoacetyl)-methylamino]methyl]phenyl]-N-(2-piperidin-1-ylethyl)benzamide
CID 70583070
3-methyl-N-(3-piperidin-1-ylpropyl)benzamide
CID 11543475
3-(3-amino-1-phenyl-2H-pyrazin-6-yl)-N-(2-piperidin-1-ylethyl)benzamide
CID 150607332

Frequently Asked Questions

What is the IUPAC name of 3-(3-formyl-4-hydroxyphenyl)-N-(2-piperidin-1-ylethyl)benzamide;hydrochloride?
The IUPAC name of 3-(3-formyl-4-hydroxyphenyl)-N-(2-piperidin-1-ylethyl)benzamide;hydrochloride (CID 170991948) is 3-(3-formyl-4-hydroxyphenyl)-N-(2-piperidin-1-ylethyl)benzamide;hydrochloride.
What is the SMILES notation for 3-(3-formyl-4-hydroxyphenyl)-N-(2-piperidin-1-ylethyl)benzamide;hydrochloride?
The canonical SMILES for 3-(3-formyl-4-hydroxyphenyl)-N-(2-piperidin-1-ylethyl)benzamide;hydrochloride is Cl.O=Cc1cc(-c2cccc(C(=O)NCCN3CCCCC3)c2)ccc1O.
What is the InChIKey of 3-(3-formyl-4-hydroxyphenyl)-N-(2-piperidin-1-ylethyl)benzamide;hydrochloride?
The InChIKey is KBERMWZGBGXZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3.ClH/c24-15-19-14-17(7-8-20(19)25)16-5-4-6-18(13-16)21(26)22-9-12-23-10-2-1-3-11-23;/h4-8,13-15,25H,1-3,9-12H2,(H,22,26);1H.
What are the key properties of 3-(3-formyl-4-hydroxyphenyl)-N-(2-piperidin-1-ylethyl)benzamide;hydrochloride?
3-(3-formyl-4-hydroxyphenyl)-N-(2-piperidin-1-ylethyl)benzamide;hydrochloride has a molecular weight of 388.90 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-formyl-4-hydroxyphenyl)-N-(2-piperidin-1-ylethyl)benzamide;hydrochloride is sourced from PubChem (CID 170991948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).