1-N-(2,2-dimethylpropyl)-4-N-(2-methylpiperidin-3-yl)benzene-1,4-dicarboxamide;hydrochloride

C19H30ClN3O2 — CID 120575205

IUPAC1-N-(2,2-dimethylpropyl)-4-N-(2-methylpiperidin-3-yl)benzene-1,4-dicarboxamide;hydrochloride
SMILESCC1NCCCC1NC(=O)c1ccc(C(=O)NCC(C)(C)C)cc1.Cl
InChIInChI=1S/C19H29N3O2.ClH/c1-13-16(6-5-11-20-13)22-18(24)15-9-7-14(8-10-15)17(23)21-12-19(2,3)4;/h7-10,13,16,20H,5-6,11-12H2,1-4H3,(H,21,23)(H,22,24);1H
InChIKeyWJXIVXDACUXOAF-UHFFFAOYSA-N
MW367.92 g/mol
LogP2.75
Rot. Bonds4

About 1-N-(2,2-dimethylpropyl)-4-N-(2-methylpiperidin-3-yl)benzene-1,4-dicarboxamide;hydrochloride

1-N-(2,2-dimethylpropyl)-4-N-(2-methylpiperidin-3-yl)benzene-1,4-dicarboxamide;hydrochloride (PubChem CID 120575205) has the molecular formula C19H30ClN3O2 and a molecular weight of 367.92 g/mol. Its IUPAC name is 1-N-(2,2-dimethylpropyl)-4-N-(2-methylpiperidin-3-yl)benzene-1,4-dicarboxamide;hydrochloride.

Molecular Properties

Compound Name1-N-(2,2-dimethylpropyl)-4-N-(2-methylpiperidin-3-yl)benzene-1,4-dicarboxamide;hydrochloride
PubChem CID120575205
Molecular FormulaC19H30ClN3O2
Molecular Weight367.92 g/mol
Exact Mass367.20
IUPAC Name1-N-(2,2-dimethylpropyl)-4-N-(2-methylpiperidin-3-yl)benzene-1,4-dicarboxamide;hydrochloride
SMILESCC1NCCCC1NC(=O)c1ccc(C(=O)NCC(C)(C)C)cc1.Cl
InChIInChI=1S/C19H29N3O2.ClH/c1-13-16(6-5-11-20-13)22-18(24)15-9-7-14(8-10-15)17(23)21-12-19(2,3)4;/h7-10,13,16,20H,5-6,11-12H2,1-4H3,(H,21,23)(H,22,24);1H
InChIKeyWJXIVXDACUXOAF-UHFFFAOYSA-N
XLogP2.75
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.92
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R,3R)-2-methylpiperidin-3-yl]benzamide
CID 124511336
4-ethylsulfonyl-N-(2-methylpiperidin-3-yl)benzamide
CID 120574136
4-(cyclopropylmethoxy)-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
CID 120574690
4-(cyclopropylsulfamoyl)-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
CID 120576685
N-(2-methylpiperidin-3-yl)-4-(phenylcarbamoylamino)benzamide;hydrochloride
CID 120577264
N-(2-methylpiperidin-3-yl)-4-(propylsulfonylamino)benzamide;hydrochloride
CID 120577071
4-(3-methoxypropoxy)-N-(2-methylpiperidin-3-yl)benzamide
CID 120575755
3-bromo-4-methyl-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
CID 120575414
4-[ethyl(propyl)amino]-N-(2-methylpiperidin-3-yl)benzamide
CID 120573277
N-(2-methylpiperidin-3-yl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 120577841
4-[[ethyl(propan-2-yl)amino]methyl]-N-(2-methylpiperidin-3-yl)benzamide;dihydrochloride
CID 120576871
4-(difluoromethylsulfonyl)-N-(2-methylpiperidin-3-yl)benzamide
CID 120574947

Frequently Asked Questions

What is the IUPAC name of 1-N-(2,2-dimethylpropyl)-4-N-(2-methylpiperidin-3-yl)benzene-1,4-dicarboxamide;hydrochloride?
The IUPAC name of 1-N-(2,2-dimethylpropyl)-4-N-(2-methylpiperidin-3-yl)benzene-1,4-dicarboxamide;hydrochloride (CID 120575205) is 1-N-(2,2-dimethylpropyl)-4-N-(2-methylpiperidin-3-yl)benzene-1,4-dicarboxamide;hydrochloride.
What is the SMILES notation for 1-N-(2,2-dimethylpropyl)-4-N-(2-methylpiperidin-3-yl)benzene-1,4-dicarboxamide;hydrochloride?
The canonical SMILES for 1-N-(2,2-dimethylpropyl)-4-N-(2-methylpiperidin-3-yl)benzene-1,4-dicarboxamide;hydrochloride is CC1NCCCC1NC(=O)c1ccc(C(=O)NCC(C)(C)C)cc1.Cl.
What is the InChIKey of 1-N-(2,2-dimethylpropyl)-4-N-(2-methylpiperidin-3-yl)benzene-1,4-dicarboxamide;hydrochloride?
The InChIKey is WJXIVXDACUXOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2.ClH/c1-13-16(6-5-11-20-13)22-18(24)15-9-7-14(8-10-15)17(23)21-12-19(2,3)4;/h7-10,13,16,20H,5-6,11-12H2,1-4H3,(H,21,23)(H,22,24);1H.
What are the key properties of 1-N-(2,2-dimethylpropyl)-4-N-(2-methylpiperidin-3-yl)benzene-1,4-dicarboxamide;hydrochloride?
1-N-(2,2-dimethylpropyl)-4-N-(2-methylpiperidin-3-yl)benzene-1,4-dicarboxamide;hydrochloride has a molecular weight of 367.92 g/mol, XLogP of 2.75, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2,2-dimethylpropyl)-4-N-(2-methylpiperidin-3-yl)benzene-1,4-dicarboxamide;hydrochloride is sourced from PubChem (CID 120575205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).