3-amino-N-[2-(1-ethylpiperidin-4-yl)ethyl]benzamide;dihydrochloride

C16H27Cl2N3O — CID 119885053

IUPAC3-amino-N-[2-(1-ethylpiperidin-4-yl)ethyl]benzamide;dihydrochloride
SMILESCCN1CCC(CCNC(=O)c2cccc(N)c2)CC1.Cl.Cl
InChIInChI=1S/C16H25N3O.2ClH/c1-2-19-10-7-13(8-11-19)6-9-18-16(20)14-4-3-5-15(17)12-14;;/h3-5,12-13H,2,6-11,17H2,1H3,(H,18,20);2*1H
InChIKeyHNHVHGSJFZEYBS-UHFFFAOYSA-N
MW348.32 g/mol
LogP2.96
Rot. Bonds5

About 3-amino-N-[2-(1-ethylpiperidin-4-yl)ethyl]benzamide;dihydrochloride

3-amino-N-[2-(1-ethylpiperidin-4-yl)ethyl]benzamide;dihydrochloride (PubChem CID 119885053) has the molecular formula C16H27Cl2N3O and a molecular weight of 348.32 g/mol. Its IUPAC name is 3-amino-N-[2-(1-ethylpiperidin-4-yl)ethyl]benzamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-(1-ethylpiperidin-4-yl)ethyl]benzamide;dihydrochloride
PubChem CID119885053
Molecular FormulaC16H27Cl2N3O
Molecular Weight348.32 g/mol
Exact Mass347.15
IUPAC Name3-amino-N-[2-(1-ethylpiperidin-4-yl)ethyl]benzamide;dihydrochloride
SMILESCCN1CCC(CCNC(=O)c2cccc(N)c2)CC1.Cl.Cl
InChIInChI=1S/C16H25N3O.2ClH/c1-2-19-10-7-13(8-11-19)6-9-18-16(20)14-4-3-5-15(17)12-14;;/h3-5,12-13H,2,6-11,17H2,1H3,(H,18,20);2*1H
InChIKeyHNHVHGSJFZEYBS-UHFFFAOYSA-N
XLogP2.96
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.32
LogP ≤ 52.96
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

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2-(4-aminophenyl)-N-[2-(1-ethylpiperidin-4-yl)ethyl]acetamide
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3-amino-N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]benzamide;trihydrochloride
CID 119901627
3-amino-N-(2-pyrrolidin-1-ylethyl)benzamide;dihydrochloride
CID 119834336
2-(1-ethylpiperidin-4-yl)ethylurea
CID 90844616
3-bromo-N-[(1-ethylpiperidin-4-yl)methyl]benzamide
CID 61383553
3-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 54861059
4-amino-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide;dihydrochloride
CID 119865905
3-amino-N-[2-[1-(furan-2-ylmethyl)piperidin-3-yl]ethyl]benzamide;hydrochloride
CID 154887421
3-amino-N-[2-(2-ethylpiperidin-1-yl)ethyl]benzamide;dihydrochloride
CID 119887818
3-amino-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 54915842

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(1-ethylpiperidin-4-yl)ethyl]benzamide;dihydrochloride?
The IUPAC name of 3-amino-N-[2-(1-ethylpiperidin-4-yl)ethyl]benzamide;dihydrochloride (CID 119885053) is 3-amino-N-[2-(1-ethylpiperidin-4-yl)ethyl]benzamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[2-(1-ethylpiperidin-4-yl)ethyl]benzamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[2-(1-ethylpiperidin-4-yl)ethyl]benzamide;dihydrochloride is CCN1CCC(CCNC(=O)c2cccc(N)c2)CC1.Cl.Cl.
What is the InChIKey of 3-amino-N-[2-(1-ethylpiperidin-4-yl)ethyl]benzamide;dihydrochloride?
The InChIKey is HNHVHGSJFZEYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O.2ClH/c1-2-19-10-7-13(8-11-19)6-9-18-16(20)14-4-3-5-15(17)12-14;;/h3-5,12-13H,2,6-11,17H2,1H3,(H,18,20);2*1H.
What are the key properties of 3-amino-N-[2-(1-ethylpiperidin-4-yl)ethyl]benzamide;dihydrochloride?
3-amino-N-[2-(1-ethylpiperidin-4-yl)ethyl]benzamide;dihydrochloride has a molecular weight of 348.32 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(1-ethylpiperidin-4-yl)ethyl]benzamide;dihydrochloride is sourced from PubChem (CID 119885053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).