N-[4-[3-(methylaminomethyl)piperidin-1-yl]-4-oxobutyl]benzamide;hydrochloride

C18H28ClN3O2 — CID 119398775

IUPACN-[4-[3-(methylaminomethyl)piperidin-1-yl]-4-oxobutyl]benzamide;hydrochloride
SMILESCNCC1CCCN(C(=O)CCCNC(=O)c2ccccc2)C1.Cl
InChIInChI=1S/C18H27N3O2.ClH/c1-19-13-15-7-6-12-21(14-15)17(22)10-5-11-20-18(23)16-8-3-2-4-9-16;/h2-4,8-9,15,19H,5-7,10-14H2,1H3,(H,20,23);1H
InChIKeyUHVDSZZTWPJBJG-UHFFFAOYSA-N
MW353.89 g/mol
LogP2.08
Rot. Bonds7

About N-[4-[3-(methylaminomethyl)piperidin-1-yl]-4-oxobutyl]benzamide;hydrochloride

N-[4-[3-(methylaminomethyl)piperidin-1-yl]-4-oxobutyl]benzamide;hydrochloride (PubChem CID 119398775) has the molecular formula C18H28ClN3O2 and a molecular weight of 353.89 g/mol. Its IUPAC name is N-[4-[3-(methylaminomethyl)piperidin-1-yl]-4-oxobutyl]benzamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[3-(methylaminomethyl)piperidin-1-yl]-4-oxobutyl]benzamide;hydrochloride
PubChem CID119398775
Molecular FormulaC18H28ClN3O2
Molecular Weight353.89 g/mol
Exact Mass353.19
IUPAC NameN-[4-[3-(methylaminomethyl)piperidin-1-yl]-4-oxobutyl]benzamide;hydrochloride
SMILESCNCC1CCCN(C(=O)CCCNC(=O)c2ccccc2)C1.Cl
InChIInChI=1S/C18H27N3O2.ClH/c1-19-13-15-7-6-12-21(14-15)17(22)10-5-11-20-18(23)16-8-3-2-4-9-16;/h2-4,8-9,15,19H,5-7,10-14H2,1H3,(H,20,23);1H
InChIKeyUHVDSZZTWPJBJG-UHFFFAOYSA-N
XLogP2.08
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.89
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[4-[3-(methylaminomethyl)piperidin-1-yl]-4-oxobutyl]benzamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[3-(aminomethyl)pyrrolidin-1-yl]-4-oxobutyl]benzamide;hydrochloride
CID 119487124
1-[3-(methylaminomethyl)piperidin-1-yl]-4-phenoxybutan-1-one
CID 119394761
N-[3-[3-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]thiophene-3-carboxamide;hydrochloride
CID 119397628
N-[4-[(3R)-3-hydroxypyrrolidin-1-yl]-4-oxobutyl]benzamide
CID 111561014
4-fluoro-N-[4-[3-(hydroxymethyl)piperidin-1-yl]-4-oxobutyl]benzamide
CID 110903798
1-[3-(methylaminomethyl)piperidin-1-yl]hexan-1-one;hydrochloride
CID 119396461
N-[4-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide;hydrochloride
CID 119397607
N-[4-oxo-4-[(2S)-2-propylmorpholin-4-yl]butyl]benzamide
CID 97064108
N-(2,2-dimethylpropyl)-4-[3-(methylaminomethyl)piperidine-1-carbonyl]benzamide;hydrochloride
CID 119397904
4-(2-chlorophenoxy)-1-[(3S)-3-(methylaminomethyl)piperidin-1-yl]butan-1-one
CID 124685926
ethyl 1-(6-benzamidohexanoyl)piperidine-3-carboxylate
CID 110838807
N-[4-(2-methylmorpholin-4-yl)-4-oxobutyl]benzamide
CID 51296252

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(methylaminomethyl)piperidin-1-yl]-4-oxobutyl]benzamide;hydrochloride?
The IUPAC name of N-[4-[3-(methylaminomethyl)piperidin-1-yl]-4-oxobutyl]benzamide;hydrochloride (CID 119398775) is N-[4-[3-(methylaminomethyl)piperidin-1-yl]-4-oxobutyl]benzamide;hydrochloride.
What is the SMILES notation for N-[4-[3-(methylaminomethyl)piperidin-1-yl]-4-oxobutyl]benzamide;hydrochloride?
The canonical SMILES for N-[4-[3-(methylaminomethyl)piperidin-1-yl]-4-oxobutyl]benzamide;hydrochloride is CNCC1CCCN(C(=O)CCCNC(=O)c2ccccc2)C1.Cl.
What is the InChIKey of N-[4-[3-(methylaminomethyl)piperidin-1-yl]-4-oxobutyl]benzamide;hydrochloride?
The InChIKey is UHVDSZZTWPJBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2.ClH/c1-19-13-15-7-6-12-21(14-15)17(22)10-5-11-20-18(23)16-8-3-2-4-9-16;/h2-4,8-9,15,19H,5-7,10-14H2,1H3,(H,20,23);1H.
What are the key properties of N-[4-[3-(methylaminomethyl)piperidin-1-yl]-4-oxobutyl]benzamide;hydrochloride?
N-[4-[3-(methylaminomethyl)piperidin-1-yl]-4-oxobutyl]benzamide;hydrochloride has a molecular weight of 353.89 g/mol, XLogP of 2.08, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(methylaminomethyl)piperidin-1-yl]-4-oxobutyl]benzamide;hydrochloride is sourced from PubChem (CID 119398775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).