4-[[ethyl(propan-2-yl)amino]methyl]-N-(2-methylpiperidin-3-yl)benzamide;dihydrochloride

C19H33Cl2N3O — CID 120576871

IUPAC4-[[ethyl(propan-2-yl)amino]methyl]-N-(2-methylpiperidin-3-yl)benzamide;dihydrochloride
SMILESCCN(Cc1ccc(C(=O)NC2CCCNC2C)cc1)C(C)C.Cl.Cl
InChIInChI=1S/C19H31N3O.2ClH/c1-5-22(14(2)3)13-16-8-10-17(11-9-16)19(23)21-18-7-6-12-20-15(18)4;;/h8-11,14-15,18,20H,5-7,12-13H2,1-4H3,(H,21,23);2*1H
InChIKeyMQSKVQWXOVWZCS-UHFFFAOYSA-N
MW390.40 g/mol
LogP3.63
Rot. Bonds6

About 4-[[ethyl(propan-2-yl)amino]methyl]-N-(2-methylpiperidin-3-yl)benzamide;dihydrochloride

4-[[ethyl(propan-2-yl)amino]methyl]-N-(2-methylpiperidin-3-yl)benzamide;dihydrochloride (PubChem CID 120576871) has the molecular formula C19H33Cl2N3O and a molecular weight of 390.40 g/mol. Its IUPAC name is 4-[[ethyl(propan-2-yl)amino]methyl]-N-(2-methylpiperidin-3-yl)benzamide;dihydrochloride.

Molecular Properties

Compound Name4-[[ethyl(propan-2-yl)amino]methyl]-N-(2-methylpiperidin-3-yl)benzamide;dihydrochloride
PubChem CID120576871
Molecular FormulaC19H33Cl2N3O
Molecular Weight390.40 g/mol
Exact Mass389.20
IUPAC Name4-[[ethyl(propan-2-yl)amino]methyl]-N-(2-methylpiperidin-3-yl)benzamide;dihydrochloride
SMILESCCN(Cc1ccc(C(=O)NC2CCCNC2C)cc1)C(C)C.Cl.Cl
InChIInChI=1S/C19H31N3O.2ClH/c1-5-22(14(2)3)13-16-8-10-17(11-9-16)19(23)21-18-7-6-12-20-15(18)4;;/h8-11,14-15,18,20H,5-7,12-13H2,1-4H3,(H,21,23);2*1H
InChIKeyMQSKVQWXOVWZCS-UHFFFAOYSA-N
XLogP3.63
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethylsulfonyl-N-(2-methylpiperidin-3-yl)benzamide
CID 120574136
4-[ethyl(propyl)amino]-N-(2-methylpiperidin-3-yl)benzamide
CID 120573277
N-(2-methylpiperidin-3-yl)-4-(propylsulfonylamino)benzamide;hydrochloride
CID 120577071
N-[(2R,3R)-2-methylpiperidin-3-yl]benzamide
CID 124511336
1-N-(2,2-dimethylpropyl)-4-N-(2-methylpiperidin-3-yl)benzene-1,4-dicarboxamide;hydrochloride
CID 120575205
4-(difluoromethylsulfonyl)-N-(2-methylpiperidin-3-yl)benzamide
CID 120574947
3-ethyl-N-(2-methylpiperidin-3-yl)thiophene-2-carboxamide;hydrochloride
CID 120575332
4-(cyclopropylsulfamoyl)-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
CID 120576685
4-(cyclopropylmethoxy)-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
CID 120574690
4-[cyclohexyl(methyl)sulfamoyl]-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
CID 120574887
4-[[ethyl(propan-2-yl)amino]methyl]benzohydrazide
CID 63573634
4-[[ethyl(propan-2-yl)amino]methyl]-N-(2-piperidin-3-ylethyl)benzamide
CID 119557132

Frequently Asked Questions

What is the IUPAC name of 4-[[ethyl(propan-2-yl)amino]methyl]-N-(2-methylpiperidin-3-yl)benzamide;dihydrochloride?
The IUPAC name of 4-[[ethyl(propan-2-yl)amino]methyl]-N-(2-methylpiperidin-3-yl)benzamide;dihydrochloride (CID 120576871) is 4-[[ethyl(propan-2-yl)amino]methyl]-N-(2-methylpiperidin-3-yl)benzamide;dihydrochloride.
What is the SMILES notation for 4-[[ethyl(propan-2-yl)amino]methyl]-N-(2-methylpiperidin-3-yl)benzamide;dihydrochloride?
The canonical SMILES for 4-[[ethyl(propan-2-yl)amino]methyl]-N-(2-methylpiperidin-3-yl)benzamide;dihydrochloride is CCN(Cc1ccc(C(=O)NC2CCCNC2C)cc1)C(C)C.Cl.Cl.
What is the InChIKey of 4-[[ethyl(propan-2-yl)amino]methyl]-N-(2-methylpiperidin-3-yl)benzamide;dihydrochloride?
The InChIKey is MQSKVQWXOVWZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O.2ClH/c1-5-22(14(2)3)13-16-8-10-17(11-9-16)19(23)21-18-7-6-12-20-15(18)4;;/h8-11,14-15,18,20H,5-7,12-13H2,1-4H3,(H,21,23);2*1H.
What are the key properties of 4-[[ethyl(propan-2-yl)amino]methyl]-N-(2-methylpiperidin-3-yl)benzamide;dihydrochloride?
4-[[ethyl(propan-2-yl)amino]methyl]-N-(2-methylpiperidin-3-yl)benzamide;dihydrochloride has a molecular weight of 390.40 g/mol, XLogP of 3.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethyl(propan-2-yl)amino]methyl]-N-(2-methylpiperidin-3-yl)benzamide;dihydrochloride is sourced from PubChem (CID 120576871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).