N-[[1-(4-aminobutanoyl)piperidin-2-yl]methyl]benzamide;hydrochloride

C17H26ClN3O2 — CID 119313514

IUPACN-[[1-(4-aminobutanoyl)piperidin-2-yl]methyl]benzamide;hydrochloride
SMILESCl.NCCCC(=O)N1CCCCC1CNC(=O)c1ccccc1
InChIInChI=1S/C17H25N3O2.ClH/c18-11-6-10-16(21)20-12-5-4-9-15(20)13-19-17(22)14-7-2-1-3-8-14;/h1-3,7-8,15H,4-6,9-13,18H2,(H,19,22);1H
InChIKeyBXGYGJKQETZZLQ-UHFFFAOYSA-N
MW339.87 g/mol
LogP1.96
Rot. Bonds6

About N-[[1-(4-aminobutanoyl)piperidin-2-yl]methyl]benzamide;hydrochloride

N-[[1-(4-aminobutanoyl)piperidin-2-yl]methyl]benzamide;hydrochloride (PubChem CID 119313514) has the molecular formula C17H26ClN3O2 and a molecular weight of 339.87 g/mol. Its IUPAC name is N-[[1-(4-aminobutanoyl)piperidin-2-yl]methyl]benzamide;hydrochloride.

Molecular Properties

Compound NameN-[[1-(4-aminobutanoyl)piperidin-2-yl]methyl]benzamide;hydrochloride
PubChem CID119313514
Molecular FormulaC17H26ClN3O2
Molecular Weight339.87 g/mol
Exact Mass339.17
IUPAC NameN-[[1-(4-aminobutanoyl)piperidin-2-yl]methyl]benzamide;hydrochloride
SMILESCl.NCCCC(=O)N1CCCCC1CNC(=O)c1ccccc1
InChIInChI=1S/C17H25N3O2.ClH/c18-11-6-10-16(21)20-12-5-4-9-15(20)13-19-17(22)14-7-2-1-3-8-14;/h1-3,7-8,15H,4-6,9-13,18H2,(H,19,22);1H
InChIKeyBXGYGJKQETZZLQ-UHFFFAOYSA-N
XLogP1.96
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.87
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[[1-(4-oxo-4-phenylbutanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579480
N-[[1-(3-amino-3-phenylpropanoyl)piperidin-2-yl]methyl]benzamide;hydrochloride
CID 119951018
[1-(4-aminobutanoyl)piperidin-2-yl]methylurea
CID 119313337
3-amino-N-[[1-(4-phenylbutanoyl)piperidin-2-yl]methyl]propanamide
CID 120579429
N-[[1-(3-aminocyclopentanecarbonyl)piperidin-2-yl]methyl]benzamide
CID 119766246
N-[[1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperidin-2-yl]methyl]benzamide
CID 120791374
5-[2-(benzamidomethyl)piperidine-1-carbonyl]pyrazine-2-carboxylic acid
CID 120690266
3-amino-N-[[1-[4-(4-fluorophenyl)-4-oxobutanoyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579536
N-[3-[2-[(3-aminopropanoylamino)methyl]piperidin-1-yl]-3-oxopropyl]thiophene-3-carboxamide
CID 120578831
3-amino-N-[[1-(3-methoxypropanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579984
4-amino-1-[(2S)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]butan-1-one
CID 124699273
3-amino-N-[[1-[4-(4-fluorophenoxy)butanoyl]piperidin-2-yl]methyl]propanamide
CID 120579145

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-aminobutanoyl)piperidin-2-yl]methyl]benzamide;hydrochloride?
The IUPAC name of N-[[1-(4-aminobutanoyl)piperidin-2-yl]methyl]benzamide;hydrochloride (CID 119313514) is N-[[1-(4-aminobutanoyl)piperidin-2-yl]methyl]benzamide;hydrochloride.
What is the SMILES notation for N-[[1-(4-aminobutanoyl)piperidin-2-yl]methyl]benzamide;hydrochloride?
The canonical SMILES for N-[[1-(4-aminobutanoyl)piperidin-2-yl]methyl]benzamide;hydrochloride is Cl.NCCCC(=O)N1CCCCC1CNC(=O)c1ccccc1.
What is the InChIKey of N-[[1-(4-aminobutanoyl)piperidin-2-yl]methyl]benzamide;hydrochloride?
The InChIKey is BXGYGJKQETZZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2.ClH/c18-11-6-10-16(21)20-12-5-4-9-15(20)13-19-17(22)14-7-2-1-3-8-14;/h1-3,7-8,15H,4-6,9-13,18H2,(H,19,22);1H.
What are the key properties of N-[[1-(4-aminobutanoyl)piperidin-2-yl]methyl]benzamide;hydrochloride?
N-[[1-(4-aminobutanoyl)piperidin-2-yl]methyl]benzamide;hydrochloride has a molecular weight of 339.87 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-aminobutanoyl)piperidin-2-yl]methyl]benzamide;hydrochloride is sourced from PubChem (CID 119313514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).