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

C15H25Cl2N3O — CID 119865905

IUPAC4-amino-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide;dihydrochloride
SMILESCN1CCC(CCNC(=O)c2ccc(N)cc2)CC1.Cl.Cl
InChIInChI=1S/C15H23N3O.2ClH/c1-18-10-7-12(8-11-18)6-9-17-15(19)13-2-4-14(16)5-3-13;;/h2-5,12H,6-11,16H2,1H3,(H,17,19);2*1H
InChIKeyOGGYPCIIKRSQKS-UHFFFAOYSA-N
MW334.29 g/mol
LogP2.57
Rot. Bonds4

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

4-amino-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide;dihydrochloride (PubChem CID 119865905) has the molecular formula C15H25Cl2N3O and a molecular weight of 334.29 g/mol. Its IUPAC name is 4-amino-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide;dihydrochloride.

Molecular Properties

Compound Name4-amino-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide;dihydrochloride
PubChem CID119865905
Molecular FormulaC15H25Cl2N3O
Molecular Weight334.29 g/mol
Exact Mass333.14
IUPAC Name4-amino-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide;dihydrochloride
SMILESCN1CCC(CCNC(=O)c2ccc(N)cc2)CC1.Cl.Cl
InChIInChI=1S/C15H23N3O.2ClH/c1-18-10-7-12(8-11-18)6-9-17-15(19)13-2-4-14(16)5-3-13;;/h2-5,12H,6-11,16H2,1H3,(H,17,19);2*1H
InChIKeyOGGYPCIIKRSQKS-UHFFFAOYSA-N
XLogP2.57
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.29
LogP ≤ 52.57
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

2,4-diamino-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
CID 114514867
N-[2-(1-methylpiperidin-4-yl)ethyl]-4-prop-2-enoxybenzamide
CID 99590993
3-methyl-4-(methylamino)-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
CID 114516650
3-amino-4,5-dichloro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
CID 114514817
3,4,5-trifluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
CID 115610737
6-[2-(1-methylpiperidin-4-yl)ethylcarbamoyl]pyridine-3-carboxylic acid
CID 114516523
2-fluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]pyridine-4-carboxamide
CID 115601906
2-amino-5-fluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
CID 114514864
4-methyl-N-[2-[(1-methylpiperidin-4-yl)methylamino]ethyl]benzamide
CID 62657165
3,4,5-trimethoxy-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
CID 99702429
5-iodo-N-[2-(1-methylpiperidin-4-yl)ethyl]thiophene-3-carboxamide
CID 115618153
3-amino-N-[2-(1-ethylpiperidin-4-yl)ethyl]benzamide;dihydrochloride
CID 119885053

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide;dihydrochloride?
The IUPAC name of 4-amino-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide;dihydrochloride (CID 119865905) is 4-amino-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide;dihydrochloride.
What is the SMILES notation for 4-amino-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide;dihydrochloride?
The canonical SMILES for 4-amino-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide;dihydrochloride is CN1CCC(CCNC(=O)c2ccc(N)cc2)CC1.Cl.Cl.
What is the InChIKey of 4-amino-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide;dihydrochloride?
The InChIKey is OGGYPCIIKRSQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O.2ClH/c1-18-10-7-12(8-11-18)6-9-17-15(19)13-2-4-14(16)5-3-13;;/h2-5,12H,6-11,16H2,1H3,(H,17,19);2*1H.
What are the key properties of 4-amino-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide;dihydrochloride?
4-amino-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide;dihydrochloride has a molecular weight of 334.29 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide;dihydrochloride is sourced from PubChem (CID 119865905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).