2-ethoxy-N-[4-oxo-4-(piperidin-3-ylamino)butyl]benzamide;hydrochloride

C18H28ClN3O3 — CID 119426258

IUPAC2-ethoxy-N-[4-oxo-4-(piperidin-3-ylamino)butyl]benzamide;hydrochloride
SMILESCCOc1ccccc1C(=O)NCCCC(=O)NC1CCCNC1.Cl
InChIInChI=1S/C18H27N3O3.ClH/c1-2-24-16-9-4-3-8-15(16)18(23)20-12-6-10-17(22)21-14-7-5-11-19-13-14;/h3-4,8-9,14,19H,2,5-7,10-13H2,1H3,(H,20,23)(H,21,22);1H
InChIKeySJQBUMGUYNLKMR-UHFFFAOYSA-N
MW369.89 g/mol
LogP1.89
Rot. Bonds8

About 2-ethoxy-N-[4-oxo-4-(piperidin-3-ylamino)butyl]benzamide;hydrochloride

2-ethoxy-N-[4-oxo-4-(piperidin-3-ylamino)butyl]benzamide;hydrochloride (PubChem CID 119426258) has the molecular formula C18H28ClN3O3 and a molecular weight of 369.89 g/mol. Its IUPAC name is 2-ethoxy-N-[4-oxo-4-(piperidin-3-ylamino)butyl]benzamide;hydrochloride.

Molecular Properties

Compound Name2-ethoxy-N-[4-oxo-4-(piperidin-3-ylamino)butyl]benzamide;hydrochloride
PubChem CID119426258
Molecular FormulaC18H28ClN3O3
Molecular Weight369.89 g/mol
Exact Mass369.18
IUPAC Name2-ethoxy-N-[4-oxo-4-(piperidin-3-ylamino)butyl]benzamide;hydrochloride
SMILESCCOc1ccccc1C(=O)NCCCC(=O)NC1CCCNC1.Cl
InChIInChI=1S/C18H27N3O3.ClH/c1-2-24-16-9-4-3-8-15(16)18(23)20-12-6-10-17(22)21-14-7-5-11-19-13-14;/h3-4,8-9,14,19H,2,5-7,10-13H2,1H3,(H,20,23)(H,21,22);1H
InChIKeySJQBUMGUYNLKMR-UHFFFAOYSA-N
XLogP1.89
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.89
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(cyclohexylamino)-4-oxobutyl]-2-ethoxybenzamide
CID 51237421
N-[4-[(4-aminocyclohexyl)amino]-4-oxobutyl]-2-ethoxybenzamide;hydrochloride
CID 119476321
cis-(1S,3R)-3-[4-[(2-ethoxybenzoyl)amino]butanoylamino]cyclopentane-1-carboxylic acid
CID 120675480
2-ethoxy-N-[4-oxo-4-[propyl(pyrrolidin-3-yl)amino]butyl]benzamide;hydrochloride
CID 119531158
2,4-difluoro-N-[4-oxo-4-(piperidin-3-ylamino)butyl]benzamide;hydrochloride
CID 119427082
2-ethoxy-N-piperidin-4-ylbenzamide;hydrochloride
CID 119389363
N-[4-[2-(cyclopentylcarbamothioyl)hydrazinyl]-4-oxobutyl]-2-ethoxybenzamide
CID 9090176
2-ethoxy-N-[4-oxo-4-(2-piperazin-1-ylethylamino)butyl]benzamide;hydrochloride
CID 119446636
2-ethoxy-N-[4-[methyl(piperidin-4-yl)amino]-4-oxobutyl]benzamide
CID 119442533
2-ethoxy-N-[4-(3-hydroxypropylamino)-4-oxobutyl]benzamide
CID 78854842
2-(2-ethoxyphenoxy)-N-piperidin-4-ylbenzamide;hydrochloride
CID 119389301
N-[2-(cycloheptylamino)ethyl]-2-ethoxybenzamide;hydrochloride
CID 119620937

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[4-oxo-4-(piperidin-3-ylamino)butyl]benzamide;hydrochloride?
The IUPAC name of 2-ethoxy-N-[4-oxo-4-(piperidin-3-ylamino)butyl]benzamide;hydrochloride (CID 119426258) is 2-ethoxy-N-[4-oxo-4-(piperidin-3-ylamino)butyl]benzamide;hydrochloride.
What is the SMILES notation for 2-ethoxy-N-[4-oxo-4-(piperidin-3-ylamino)butyl]benzamide;hydrochloride?
The canonical SMILES for 2-ethoxy-N-[4-oxo-4-(piperidin-3-ylamino)butyl]benzamide;hydrochloride is CCOc1ccccc1C(=O)NCCCC(=O)NC1CCCNC1.Cl.
What is the InChIKey of 2-ethoxy-N-[4-oxo-4-(piperidin-3-ylamino)butyl]benzamide;hydrochloride?
The InChIKey is SJQBUMGUYNLKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3.ClH/c1-2-24-16-9-4-3-8-15(16)18(23)20-12-6-10-17(22)21-14-7-5-11-19-13-14;/h3-4,8-9,14,19H,2,5-7,10-13H2,1H3,(H,20,23)(H,21,22);1H.
What are the key properties of 2-ethoxy-N-[4-oxo-4-(piperidin-3-ylamino)butyl]benzamide;hydrochloride?
2-ethoxy-N-[4-oxo-4-(piperidin-3-ylamino)butyl]benzamide;hydrochloride has a molecular weight of 369.89 g/mol, XLogP of 1.89, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[4-oxo-4-(piperidin-3-ylamino)butyl]benzamide;hydrochloride is sourced from PubChem (CID 119426258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).