4-N-(2,2-dimethylpropyl)-1-N-(2-piperidin-3-ylethyl)benzene-1,4-dicarboxamide;hydrochloride

C20H32ClN3O2 — CID 119558369

IUPAC4-N-(2,2-dimethylpropyl)-1-N-(2-piperidin-3-ylethyl)benzene-1,4-dicarboxamide;hydrochloride
SMILESCC(C)(C)CNC(=O)c1ccc(C(=O)NCCC2CCCNC2)cc1.Cl
InChIInChI=1S/C20H31N3O2.ClH/c1-20(2,3)14-23-19(25)17-8-6-16(7-9-17)18(24)22-12-10-15-5-4-11-21-13-15;/h6-9,15,21H,4-5,10-14H2,1-3H3,(H,22,24)(H,23,25);1H
InChIKeyKCGKCQQJLHJZNM-UHFFFAOYSA-N
MW381.95 g/mol
LogP3.00
Rot. Bonds6

About 4-N-(2,2-dimethylpropyl)-1-N-(2-piperidin-3-ylethyl)benzene-1,4-dicarboxamide;hydrochloride

4-N-(2,2-dimethylpropyl)-1-N-(2-piperidin-3-ylethyl)benzene-1,4-dicarboxamide;hydrochloride (PubChem CID 119558369) has the molecular formula C20H32ClN3O2 and a molecular weight of 381.95 g/mol. Its IUPAC name is 4-N-(2,2-dimethylpropyl)-1-N-(2-piperidin-3-ylethyl)benzene-1,4-dicarboxamide;hydrochloride.

Molecular Properties

Compound Name4-N-(2,2-dimethylpropyl)-1-N-(2-piperidin-3-ylethyl)benzene-1,4-dicarboxamide;hydrochloride
PubChem CID119558369
Molecular FormulaC20H32ClN3O2
Molecular Weight381.95 g/mol
Exact Mass381.22
IUPAC Name4-N-(2,2-dimethylpropyl)-1-N-(2-piperidin-3-ylethyl)benzene-1,4-dicarboxamide;hydrochloride
SMILESCC(C)(C)CNC(=O)c1ccc(C(=O)NCCC2CCCNC2)cc1.Cl
InChIInChI=1S/C20H31N3O2.ClH/c1-20(2,3)14-23-19(25)17-8-6-16(7-9-17)18(24)22-12-10-15-5-4-11-21-13-15;/h6-9,15,21H,4-5,10-14H2,1-3H3,(H,22,24)(H,23,25);1H
InChIKeyKCGKCQQJLHJZNM-UHFFFAOYSA-N
XLogP3.00
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.95
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-N-(2,2-dimethylpropyl)-1-N-(2-piperidin-3-ylethyl)benzene-1,4-dicarboxamide;hydrochloride with MolForge

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Related Compounds

4-iodo-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119554925
4-methoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119556793
4-(tert-butylsulfamoyl)-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119555746
4-tert-butyl-N-[3-oxo-3-(2-piperidin-3-ylethylamino)propyl]benzamide
CID 119556823
N-(2-piperidin-3-ylethyl)-4-(1H-pyrrole-3-carbonyl)benzamide;hydrochloride
CID 119559628
3-fluoro-4-methyl-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119556963
N-(2-piperidin-3-ylethyl)-4-(trifluoromethylsulfanyl)benzamide
CID 119557493
3,4-dimethoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119557335
4-(difluoromethylsulfonyl)-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119556890
4-(tert-butylsulfamoyl)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119534198
4-N,4-N-dimethyl-1-N-(2-pyrrolidin-3-ylethyl)benzene-1,4-dicarboxamide;hydrochloride
CID 119537522
4-(2-amino-2-oxoethyl)sulfonyl-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119556684

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,2-dimethylpropyl)-1-N-(2-piperidin-3-ylethyl)benzene-1,4-dicarboxamide;hydrochloride?
The IUPAC name of 4-N-(2,2-dimethylpropyl)-1-N-(2-piperidin-3-ylethyl)benzene-1,4-dicarboxamide;hydrochloride (CID 119558369) is 4-N-(2,2-dimethylpropyl)-1-N-(2-piperidin-3-ylethyl)benzene-1,4-dicarboxamide;hydrochloride.
What is the SMILES notation for 4-N-(2,2-dimethylpropyl)-1-N-(2-piperidin-3-ylethyl)benzene-1,4-dicarboxamide;hydrochloride?
The canonical SMILES for 4-N-(2,2-dimethylpropyl)-1-N-(2-piperidin-3-ylethyl)benzene-1,4-dicarboxamide;hydrochloride is CC(C)(C)CNC(=O)c1ccc(C(=O)NCCC2CCCNC2)cc1.Cl.
What is the InChIKey of 4-N-(2,2-dimethylpropyl)-1-N-(2-piperidin-3-ylethyl)benzene-1,4-dicarboxamide;hydrochloride?
The InChIKey is KCGKCQQJLHJZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2.ClH/c1-20(2,3)14-23-19(25)17-8-6-16(7-9-17)18(24)22-12-10-15-5-4-11-21-13-15;/h6-9,15,21H,4-5,10-14H2,1-3H3,(H,22,24)(H,23,25);1H.
What are the key properties of 4-N-(2,2-dimethylpropyl)-1-N-(2-piperidin-3-ylethyl)benzene-1,4-dicarboxamide;hydrochloride?
4-N-(2,2-dimethylpropyl)-1-N-(2-piperidin-3-ylethyl)benzene-1,4-dicarboxamide;hydrochloride has a molecular weight of 381.95 g/mol, XLogP of 3.00, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,2-dimethylpropyl)-1-N-(2-piperidin-3-ylethyl)benzene-1,4-dicarboxamide;hydrochloride is sourced from PubChem (CID 119558369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).