2-amino-N-(1-prop-2-enylpiperidin-4-yl)benzamide;dihydrochloride

C15H23Cl2N3O — CID 119947092

IUPAC2-amino-N-(1-prop-2-enylpiperidin-4-yl)benzamide;dihydrochloride
SMILESC=CCN1CCC(NC(=O)c2ccccc2N)CC1.Cl.Cl
InChIInChI=1S/C15H21N3O.2ClH/c1-2-9-18-10-7-12(8-11-18)17-15(19)13-5-3-4-6-14(13)16;;/h2-6,12H,1,7-11,16H2,(H,17,19);2*1H
InChIKeyMUFCJFMMFBFVJW-UHFFFAOYSA-N
MW332.28 g/mol
LogP2.49
Rot. Bonds4

About 2-amino-N-(1-prop-2-enylpiperidin-4-yl)benzamide;dihydrochloride

2-amino-N-(1-prop-2-enylpiperidin-4-yl)benzamide;dihydrochloride (PubChem CID 119947092) has the molecular formula C15H23Cl2N3O and a molecular weight of 332.28 g/mol. Its IUPAC name is 2-amino-N-(1-prop-2-enylpiperidin-4-yl)benzamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-(1-prop-2-enylpiperidin-4-yl)benzamide;dihydrochloride
PubChem CID119947092
Molecular FormulaC15H23Cl2N3O
Molecular Weight332.28 g/mol
Exact Mass331.12
IUPAC Name2-amino-N-(1-prop-2-enylpiperidin-4-yl)benzamide;dihydrochloride
SMILESC=CCN1CCC(NC(=O)c2ccccc2N)CC1.Cl.Cl
InChIInChI=1S/C15H21N3O.2ClH/c1-2-9-18-10-7-12(8-11-18)17-15(19)13-5-3-4-6-14(13)16;;/h2-6,12H,1,7-11,16H2,(H,17,19);2*1H
InChIKeyMUFCJFMMFBFVJW-UHFFFAOYSA-N
XLogP2.49
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.28
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(1-methylpiperidin-4-yl)benzamide;dihydrochloride
CID 119946137
4-phenyl-N-(1-prop-2-enylpiperidin-4-yl)benzamide
CID 75538554
3-amino-N-(1-prop-2-enylpiperidin-4-yl)benzamide
CID 119879126
2-amino-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]benzamide;hydrochloride
CID 119944177
2-amino-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]benzamide
CID 119946633
2-amino-2-phenyl-N-(1-prop-2-enylpiperidin-4-yl)acetamide
CID 119879084
2-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]benzamide
CID 119946714
2-amino-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide
CID 61213391
6-[(1-prop-2-enylpiperidin-4-yl)carbamoyl]naphthalene-2-carboxylic acid
CID 167783469
3-fluoro-N-(1-prop-2-enylpiperidin-4-yl)benzamide
CID 91938316
cis-(1R,2S)-2-phenyl-N-(1-prop-2-enylpiperidin-4-yl)cyclopropane-1-carboxamide
CID 97457906
3-phenyl-N-(1-prop-2-enylpiperidin-4-yl)propanamide
CID 51081790

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-prop-2-enylpiperidin-4-yl)benzamide;dihydrochloride?
The IUPAC name of 2-amino-N-(1-prop-2-enylpiperidin-4-yl)benzamide;dihydrochloride (CID 119947092) is 2-amino-N-(1-prop-2-enylpiperidin-4-yl)benzamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-(1-prop-2-enylpiperidin-4-yl)benzamide;dihydrochloride?
The canonical SMILES for 2-amino-N-(1-prop-2-enylpiperidin-4-yl)benzamide;dihydrochloride is C=CCN1CCC(NC(=O)c2ccccc2N)CC1.Cl.Cl.
What is the InChIKey of 2-amino-N-(1-prop-2-enylpiperidin-4-yl)benzamide;dihydrochloride?
The InChIKey is MUFCJFMMFBFVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O.2ClH/c1-2-9-18-10-7-12(8-11-18)17-15(19)13-5-3-4-6-14(13)16;;/h2-6,12H,1,7-11,16H2,(H,17,19);2*1H.
What are the key properties of 2-amino-N-(1-prop-2-enylpiperidin-4-yl)benzamide;dihydrochloride?
2-amino-N-(1-prop-2-enylpiperidin-4-yl)benzamide;dihydrochloride has a molecular weight of 332.28 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-prop-2-enylpiperidin-4-yl)benzamide;dihydrochloride is sourced from PubChem (CID 119947092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).