N-[[1-(3-aminobenzoyl)piperidin-3-yl]methyl]butanamide;hydrochloride

C17H26ClN3O2 — CID 119761652

IUPACN-[[1-(3-aminobenzoyl)piperidin-3-yl]methyl]butanamide;hydrochloride
SMILESCCCC(=O)NCC1CCCN(C(=O)c2cccc(N)c2)C1.Cl
InChIInChI=1S/C17H25N3O2.ClH/c1-2-5-16(21)19-11-13-6-4-9-20(12-13)17(22)14-7-3-8-15(18)10-14;/h3,7-8,10,13H,2,4-6,9,11-12,18H2,1H3,(H,19,21);1H
InChIKeyJCGALKZUESYXHC-UHFFFAOYSA-N
MW339.87 g/mol
LogP2.46
Rot. Bonds5

About N-[[1-(3-aminobenzoyl)piperidin-3-yl]methyl]butanamide;hydrochloride

N-[[1-(3-aminobenzoyl)piperidin-3-yl]methyl]butanamide;hydrochloride (PubChem CID 119761652) has the molecular formula C17H26ClN3O2 and a molecular weight of 339.87 g/mol. Its IUPAC name is N-[[1-(3-aminobenzoyl)piperidin-3-yl]methyl]butanamide;hydrochloride.

Molecular Properties

Compound NameN-[[1-(3-aminobenzoyl)piperidin-3-yl]methyl]butanamide;hydrochloride
PubChem CID119761652
Molecular FormulaC17H26ClN3O2
Molecular Weight339.87 g/mol
Exact Mass339.17
IUPAC NameN-[[1-(3-aminobenzoyl)piperidin-3-yl]methyl]butanamide;hydrochloride
SMILESCCCC(=O)NCC1CCCN(C(=O)c2cccc(N)c2)C1.Cl
InChIInChI=1S/C17H25N3O2.ClH/c1-2-5-16(21)19-11-13-6-4-9-20(12-13)17(22)14-7-3-8-15(18)10-14;/h3,7-8,10,13H,2,4-6,9,11-12,18H2,1H3,(H,19,21);1H
InChIKeyJCGALKZUESYXHC-UHFFFAOYSA-N
XLogP2.46
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.87
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(3-aminobenzoyl)piperidin-3-yl]butanamide
CID 119761707
N-[[1-[4-(aminomethyl)benzoyl]piperidin-3-yl]methyl]butanamide;hydrochloride
CID 119310763
N-[[(3R)-1-(4-ethylbenzoyl)piperidin-3-yl]methyl]butanamide
CID 95294529
N-[[(3R)-1-(4-methoxybenzoyl)piperidin-3-yl]methyl]butanamide
CID 95295388
N-[[(3R)-1-(2-methylbenzoyl)piperidin-3-yl]methyl]butanamide
CID 95304598
5-[3-[(butanoylamino)methyl]piperidine-1-carbonyl]thiophene-2-carboxylic acid
CID 119183261
N-[[(3S)-1-[6-(cyclopropylamino)pyridine-3-carbonyl]piperidin-3-yl]methyl]butanamide
CID 95292303
(3R)-3-[(butanoylamino)methyl]-N-(3-ethylphenyl)piperidine-1-carboxamide
CID 95297467
3-(3-aminopiperidine-1-carbonyl)-N-propylbenzamide
CID 119377560
N-[[(3S)-1-[4-[methyl(phenyl)sulfamoyl]benzoyl]piperidin-3-yl]methyl]butanamide
CID 52514335
[1-(3-amino-4-methylbenzoyl)piperidin-3-yl]methylurea
CID 60964314
N-[[(3S)-1-(3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperidin-3-yl]methyl]butanamide
CID 97312968

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-aminobenzoyl)piperidin-3-yl]methyl]butanamide;hydrochloride?
The IUPAC name of N-[[1-(3-aminobenzoyl)piperidin-3-yl]methyl]butanamide;hydrochloride (CID 119761652) is N-[[1-(3-aminobenzoyl)piperidin-3-yl]methyl]butanamide;hydrochloride.
What is the SMILES notation for N-[[1-(3-aminobenzoyl)piperidin-3-yl]methyl]butanamide;hydrochloride?
The canonical SMILES for N-[[1-(3-aminobenzoyl)piperidin-3-yl]methyl]butanamide;hydrochloride is CCCC(=O)NCC1CCCN(C(=O)c2cccc(N)c2)C1.Cl.
What is the InChIKey of N-[[1-(3-aminobenzoyl)piperidin-3-yl]methyl]butanamide;hydrochloride?
The InChIKey is JCGALKZUESYXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2.ClH/c1-2-5-16(21)19-11-13-6-4-9-20(12-13)17(22)14-7-3-8-15(18)10-14;/h3,7-8,10,13H,2,4-6,9,11-12,18H2,1H3,(H,19,21);1H.
What are the key properties of N-[[1-(3-aminobenzoyl)piperidin-3-yl]methyl]butanamide;hydrochloride?
N-[[1-(3-aminobenzoyl)piperidin-3-yl]methyl]butanamide;hydrochloride has a molecular weight of 339.87 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-aminobenzoyl)piperidin-3-yl]methyl]butanamide;hydrochloride is sourced from PubChem (CID 119761652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).