N-[4-[2-(aminomethyl)piperidin-1-yl]-4-oxobutyl]-2-ethoxybenzamide;hydrochloride

C19H30ClN3O3 — CID 119467613

IUPACN-[4-[2-(aminomethyl)piperidin-1-yl]-4-oxobutyl]-2-ethoxybenzamide;hydrochloride
SMILESCCOc1ccccc1C(=O)NCCCC(=O)N1CCCCC1CN.Cl
InChIInChI=1S/C19H29N3O3.ClH/c1-2-25-17-10-4-3-9-16(17)19(24)21-12-7-11-18(23)22-13-6-5-8-15(22)14-20;/h3-4,9-10,15H,2,5-8,11-14,20H2,1H3,(H,21,24);1H
InChIKeyYQCQDBYSUVGZBN-UHFFFAOYSA-N
MW383.92 g/mol
LogP2.36
Rot. Bonds8

About N-[4-[2-(aminomethyl)piperidin-1-yl]-4-oxobutyl]-2-ethoxybenzamide;hydrochloride

N-[4-[2-(aminomethyl)piperidin-1-yl]-4-oxobutyl]-2-ethoxybenzamide;hydrochloride (PubChem CID 119467613) has the molecular formula C19H30ClN3O3 and a molecular weight of 383.92 g/mol. Its IUPAC name is N-[4-[2-(aminomethyl)piperidin-1-yl]-4-oxobutyl]-2-ethoxybenzamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[2-(aminomethyl)piperidin-1-yl]-4-oxobutyl]-2-ethoxybenzamide;hydrochloride
PubChem CID119467613
Molecular FormulaC19H30ClN3O3
Molecular Weight383.92 g/mol
Exact Mass383.20
IUPAC NameN-[4-[2-(aminomethyl)piperidin-1-yl]-4-oxobutyl]-2-ethoxybenzamide;hydrochloride
SMILESCCOc1ccccc1C(=O)NCCCC(=O)N1CCCCC1CN.Cl
InChIInChI=1S/C19H29N3O3.ClH/c1-2-25-17-10-4-3-9-16(17)19(24)21-12-7-11-18(23)22-13-6-5-8-15(22)14-20;/h3-4,9-10,15H,2,5-8,11-14,20H2,1H3,(H,21,24);1H
InChIKeyYQCQDBYSUVGZBN-UHFFFAOYSA-N
XLogP2.36
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.92
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[4-[2-(aminomethyl)piperidin-1-yl]-4-oxobutyl]-2-ethoxybenzamide;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-[2-(aminomethyl)piperidin-1-yl]-4-oxobutyl]-2-ethoxybenzamide
CID 119467614
2-ethoxy-N-[4-(4-methylpiperidin-1-yl)-4-oxobutyl]benzamide
CID 36841911
N-[4-(cyclohexylamino)-4-oxobutyl]-2-ethoxybenzamide
CID 51237421
1-[2-(aminomethyl)piperidin-1-yl]-4-(4-ethoxyphenoxy)butan-1-one;hydrochloride
CID 119466604
N-[2-(cycloheptylamino)ethyl]-2-ethoxybenzamide;hydrochloride
CID 119620937
N-[4-[cyclopentyl(ethyl)amino]-4-oxobutyl]-2-ethoxybenzamide
CID 134060964
2-ethoxy-N-(7-pyrrolidin-1-ylheptyl)benzamide
CID 47074532
N-[4-[2-(aminomethyl)pyrrolidin-1-yl]-4-oxobutyl]-4-fluorobenzamide
CID 119631800
N-[4-[(4-aminocyclohexyl)amino]-4-oxobutyl]-2-ethoxybenzamide;hydrochloride
CID 119476321
2-ethoxy-N-[3-[4-[3-[(2-ethoxybenzoyl)amino]propyl]piperazin-1-yl]propyl]benzamide
CID 2932757
1-[2-(aminomethyl)piperidin-1-yl]-3-(2-fluorophenoxy)propan-1-one;hydrochloride
CID 119467095
2-ethoxy-N-[4-oxo-4-(piperidin-3-ylamino)butyl]benzamide;hydrochloride
CID 119426258

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(aminomethyl)piperidin-1-yl]-4-oxobutyl]-2-ethoxybenzamide;hydrochloride?
The IUPAC name of N-[4-[2-(aminomethyl)piperidin-1-yl]-4-oxobutyl]-2-ethoxybenzamide;hydrochloride (CID 119467613) is N-[4-[2-(aminomethyl)piperidin-1-yl]-4-oxobutyl]-2-ethoxybenzamide;hydrochloride.
What is the SMILES notation for N-[4-[2-(aminomethyl)piperidin-1-yl]-4-oxobutyl]-2-ethoxybenzamide;hydrochloride?
The canonical SMILES for N-[4-[2-(aminomethyl)piperidin-1-yl]-4-oxobutyl]-2-ethoxybenzamide;hydrochloride is CCOc1ccccc1C(=O)NCCCC(=O)N1CCCCC1CN.Cl.
What is the InChIKey of N-[4-[2-(aminomethyl)piperidin-1-yl]-4-oxobutyl]-2-ethoxybenzamide;hydrochloride?
The InChIKey is YQCQDBYSUVGZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3.ClH/c1-2-25-17-10-4-3-9-16(17)19(24)21-12-7-11-18(23)22-13-6-5-8-15(22)14-20;/h3-4,9-10,15H,2,5-8,11-14,20H2,1H3,(H,21,24);1H.
What are the key properties of N-[4-[2-(aminomethyl)piperidin-1-yl]-4-oxobutyl]-2-ethoxybenzamide;hydrochloride?
N-[4-[2-(aminomethyl)piperidin-1-yl]-4-oxobutyl]-2-ethoxybenzamide;hydrochloride has a molecular weight of 383.92 g/mol, XLogP of 2.36, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(aminomethyl)piperidin-1-yl]-4-oxobutyl]-2-ethoxybenzamide;hydrochloride is sourced from PubChem (CID 119467613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).