2-benzyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride

C20H25ClN2O — CID 119462305

IUPAC2-benzyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
SMILESCl.O=C(NCC1CCCNC1)c1ccccc1Cc1ccccc1
InChIInChI=1S/C20H24N2O.ClH/c23-20(22-15-17-9-6-12-21-14-17)19-11-5-4-10-18(19)13-16-7-2-1-3-8-16;/h1-5,7-8,10-11,17,21H,6,9,12-15H2,(H,22,23);1H
InChIKeyJUPYHAQBCOASBR-UHFFFAOYSA-N
MW344.89 g/mol
LogP3.43
Rot. Bonds5

About 2-benzyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride

2-benzyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride (PubChem CID 119462305) has the molecular formula C20H25ClN2O and a molecular weight of 344.89 g/mol. Its IUPAC name is 2-benzyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name2-benzyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
PubChem CID119462305
Molecular FormulaC20H25ClN2O
Molecular Weight344.89 g/mol
Exact Mass344.17
IUPAC Name2-benzyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
SMILESCl.O=C(NCC1CCCNC1)c1ccccc1Cc1ccccc1
InChIInChI=1S/C20H24N2O.ClH/c23-20(22-15-17-9-6-12-21-14-17)19-11-5-4-10-18(19)13-16-7-2-1-3-8-16;/h1-5,7-8,10-11,17,21H,6,9,12-15H2,(H,22,23);1H
InChIKeyJUPYHAQBCOASBR-UHFFFAOYSA-N
XLogP3.43
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.89
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenyl-N-[[(3R)-piperidin-3-yl]methyl]acetamide;hydrochloride
CID 166436266
N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119461032
2-iodo-3-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 113265456
2-(2-phenylethyl)-N-(2-piperidin-3-ylethyl)benzamide
CID 119557940
2-phenylsulfanyl-N-(piperidin-3-ylmethyl)benzamide
CID 119464048
2-(4-fluorobenzoyl)-N-(piperidin-3-ylmethyl)benzamide
CID 119460024
2-[(2-methylphenyl)methoxy]-N-(piperidin-3-ylmethyl)benzamide
CID 119463848
N-(piperidin-3-ylmethyl)-2-(propan-2-ylcarbamoylamino)benzamide
CID 119464217
1-(2-phenylethyl)-3-[[(3S)-piperidin-3-yl]methyl]urea;hydrochloride
CID 165429715
2-methyl-N-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride
CID 119462332
2,5-dimethyl-1-phenyl-N-(piperidin-3-ylmethyl)pyrrole-3-carboxamide
CID 119459788
4-(phenylcarbamoylamino)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462020

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride?
The IUPAC name of 2-benzyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride (CID 119462305) is 2-benzyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride.
What is the SMILES notation for 2-benzyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride?
The canonical SMILES for 2-benzyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride is Cl.O=C(NCC1CCCNC1)c1ccccc1Cc1ccccc1.
What is the InChIKey of 2-benzyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride?
The InChIKey is JUPYHAQBCOASBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O.ClH/c23-20(22-15-17-9-6-12-21-14-17)19-11-5-4-10-18(19)13-16-7-2-1-3-8-16;/h1-5,7-8,10-11,17,21H,6,9,12-15H2,(H,22,23);1H.
What are the key properties of 2-benzyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride?
2-benzyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride has a molecular weight of 344.89 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride is sourced from PubChem (CID 119462305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).