3-[[piperidin-4-yl(propyl)amino]methyl]benzamide;hydrochloride

C16H26ClN3O — CID 119933024

IUPAC3-[[piperidin-4-yl(propyl)amino]methyl]benzamide;hydrochloride
SMILESCCCN(Cc1cccc(C(N)=O)c1)C1CCNCC1.Cl
InChIInChI=1S/C16H25N3O.ClH/c1-2-10-19(15-6-8-18-9-7-15)12-13-4-3-5-14(11-13)16(17)20;/h3-5,11,15,18H,2,6-10,12H2,1H3,(H2,17,20);1H
InChIKeyPOKGKCRYQZZEQL-UHFFFAOYSA-N
MW311.86 g/mol
LogP2.17
Rot. Bonds6

About 3-[[piperidin-4-yl(propyl)amino]methyl]benzamide;hydrochloride

3-[[piperidin-4-yl(propyl)amino]methyl]benzamide;hydrochloride (PubChem CID 119933024) has the molecular formula C16H26ClN3O and a molecular weight of 311.86 g/mol. Its IUPAC name is 3-[[piperidin-4-yl(propyl)amino]methyl]benzamide;hydrochloride.

Molecular Properties

Compound Name3-[[piperidin-4-yl(propyl)amino]methyl]benzamide;hydrochloride
PubChem CID119933024
Molecular FormulaC16H26ClN3O
Molecular Weight311.86 g/mol
Exact Mass311.18
IUPAC Name3-[[piperidin-4-yl(propyl)amino]methyl]benzamide;hydrochloride
SMILESCCCN(Cc1cccc(C(N)=O)c1)C1CCNCC1.Cl
InChIInChI=1S/C16H25N3O.ClH/c1-2-10-19(15-6-8-18-9-7-15)12-13-4-3-5-14(11-13)16(17)20;/h3-5,11,15,18H,2,6-10,12H2,1H3,(H2,17,20);1H
InChIKeyPOKGKCRYQZZEQL-UHFFFAOYSA-N
XLogP2.17
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.86
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[[piperidin-4-yl(propyl)amino]methyl]benzoate;hydrochloride
CID 120835573
3-[[cyclopentyl(2-hydroxyethyl)amino]methyl]benzamide
CID 62016224
methyl 3-[[ethyl(piperidin-4-yl)amino]methyl]benzoate
CID 60805783
N-[(3-nitrophenyl)methyl]-N-propylpiperidin-4-amine
CID 60805967
3-[(dipropylamino)methyl]benzamide
CID 82041313
methyl 3-[[azepan-4-yl(ethyl)amino]methyl]benzoate;hydrochloride
CID 120844863
3-[[propyl(pyrrolidin-3-yl)amino]methyl]phenol
CID 63301041
N-[(3,4-dichlorophenyl)methyl]-N-propylpiperidin-4-amine
CID 60806819
1-phenyl-2-[piperidin-4-yl(propyl)amino]ethanone
CID 62031069
N-benzyl-N-propylpyrrolidin-3-amine;hydrochloride
CID 119921759
N-[(3-nitrophenyl)methyl]-N-propylpyrrolidin-3-amine;hydrochloride
CID 119921376
3-(methylsulfinylmethyl)-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119823512

Frequently Asked Questions

What is the IUPAC name of 3-[[piperidin-4-yl(propyl)amino]methyl]benzamide;hydrochloride?
The IUPAC name of 3-[[piperidin-4-yl(propyl)amino]methyl]benzamide;hydrochloride (CID 119933024) is 3-[[piperidin-4-yl(propyl)amino]methyl]benzamide;hydrochloride.
What is the SMILES notation for 3-[[piperidin-4-yl(propyl)amino]methyl]benzamide;hydrochloride?
The canonical SMILES for 3-[[piperidin-4-yl(propyl)amino]methyl]benzamide;hydrochloride is CCCN(Cc1cccc(C(N)=O)c1)C1CCNCC1.Cl.
What is the InChIKey of 3-[[piperidin-4-yl(propyl)amino]methyl]benzamide;hydrochloride?
The InChIKey is POKGKCRYQZZEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O.ClH/c1-2-10-19(15-6-8-18-9-7-15)12-13-4-3-5-14(11-13)16(17)20;/h3-5,11,15,18H,2,6-10,12H2,1H3,(H2,17,20);1H.
What are the key properties of 3-[[piperidin-4-yl(propyl)amino]methyl]benzamide;hydrochloride?
3-[[piperidin-4-yl(propyl)amino]methyl]benzamide;hydrochloride has a molecular weight of 311.86 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[piperidin-4-yl(propyl)amino]methyl]benzamide;hydrochloride is sourced from PubChem (CID 119933024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).