4-[(2-hydroxyethylamino)methyl]-N-methyl-N-(2-piperidin-1-ylethyl)benzamide

C18H29N3O2 — CID 123201796

IUPAC4-[(2-hydroxyethylamino)methyl]-N-methyl-N-(2-piperidin-1-ylethyl)benzamide
SMILESCN(CCN1CCCCC1)C(=O)c1ccc(CNCCO)cc1
InChIInChI=1S/C18H29N3O2/c1-20(12-13-21-10-3-2-4-11-21)18(23)17-7-5-16(6-8-17)15-19-9-14-22/h5-8,19,22H,2-4,9-15H2,1H3
InChIKeyARTXGYJAQRMZAU-UHFFFAOYSA-N
MW319.45 g/mol
LogP1.33
Rot. Bonds8

About 4-[(2-hydroxyethylamino)methyl]-N-methyl-N-(2-piperidin-1-ylethyl)benzamide

4-[(2-hydroxyethylamino)methyl]-N-methyl-N-(2-piperidin-1-ylethyl)benzamide (PubChem CID 123201796) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 4-[(2-hydroxyethylamino)methyl]-N-methyl-N-(2-piperidin-1-ylethyl)benzamide.

Molecular Properties

Compound Name4-[(2-hydroxyethylamino)methyl]-N-methyl-N-(2-piperidin-1-ylethyl)benzamide
PubChem CID123201796
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name4-[(2-hydroxyethylamino)methyl]-N-methyl-N-(2-piperidin-1-ylethyl)benzamide
SMILESCN(CCN1CCCCC1)C(=O)c1ccc(CNCCO)cc1
InChIInChI=1S/C18H29N3O2/c1-20(12-13-21-10-3-2-4-11-21)18(23)17-7-5-16(6-8-17)15-19-9-14-22/h5-8,19,22H,2-4,9-15H2,1H3
InChIKeyARTXGYJAQRMZAU-UHFFFAOYSA-N
XLogP1.33
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-ethylpiperazin-1-yl)methyl]-N-methyl-N-(2-piperidin-1-ylethyl)benzamide
CID 123169079
4-[(2-pyrrolidin-1-ylethylamino)methyl]benzoic acid
CID 55097521
N-methyl-N-(2-piperidin-1-ylethyl)pyridine-4-carboxamide
CID 110753397
N-methyl-N-(2-piperidin-1-ylethyl)-4-[(4-pyridin-4-ylpiperazin-1-yl)methyl]benzamide
CID 123142315
4-(4-hydroxypiperidin-1-yl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 111430881
N-methyl-N-(2-piperidin-1-ylethyl)-1,3-benzodioxole-5-carboxamide
CID 110752384
3-hydroxy-4-iodo-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 104628289
N-methyl-6-(propylamino)-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
CID 63208830
N-methyl-4-(4-methylphenyl)-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 131950645
N-methyl-4-(propylaminomethyl)-N-(2-pyrrolidin-1-ylethyl)aniline
CID 63207739
3-[3-[2-(4-hydroxyphenyl)ethylamino]propanoylamino]-N-methyl-N-(2-piperidin-1-ylethyl)benzamide
CID 123897221
N-benzyl-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 63209215

Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxyethylamino)methyl]-N-methyl-N-(2-piperidin-1-ylethyl)benzamide?
The IUPAC name of 4-[(2-hydroxyethylamino)methyl]-N-methyl-N-(2-piperidin-1-ylethyl)benzamide (CID 123201796) is 4-[(2-hydroxyethylamino)methyl]-N-methyl-N-(2-piperidin-1-ylethyl)benzamide.
What is the SMILES notation for 4-[(2-hydroxyethylamino)methyl]-N-methyl-N-(2-piperidin-1-ylethyl)benzamide?
The canonical SMILES for 4-[(2-hydroxyethylamino)methyl]-N-methyl-N-(2-piperidin-1-ylethyl)benzamide is CN(CCN1CCCCC1)C(=O)c1ccc(CNCCO)cc1.
What is the InChIKey of 4-[(2-hydroxyethylamino)methyl]-N-methyl-N-(2-piperidin-1-ylethyl)benzamide?
The InChIKey is ARTXGYJAQRMZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-20(12-13-21-10-3-2-4-11-21)18(23)17-7-5-16(6-8-17)15-19-9-14-22/h5-8,19,22H,2-4,9-15H2,1H3.
What are the key properties of 4-[(2-hydroxyethylamino)methyl]-N-methyl-N-(2-piperidin-1-ylethyl)benzamide?
4-[(2-hydroxyethylamino)methyl]-N-methyl-N-(2-piperidin-1-ylethyl)benzamide has a molecular weight of 319.45 g/mol, XLogP of 1.33, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxyethylamino)methyl]-N-methyl-N-(2-piperidin-1-ylethyl)benzamide is sourced from PubChem (CID 123201796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).