4-N,4-N-diethyl-1-N-(piperidin-3-ylmethyl)benzene-1,4-dicarboxamide;hydrochloride

C18H28ClN3O2 — CID 119463375

IUPAC4-N,4-N-diethyl-1-N-(piperidin-3-ylmethyl)benzene-1,4-dicarboxamide;hydrochloride
SMILESCCN(CC)C(=O)c1ccc(C(=O)NCC2CCCNC2)cc1.Cl
InChIInChI=1S/C18H27N3O2.ClH/c1-3-21(4-2)18(23)16-9-7-15(8-10-16)17(22)20-13-14-6-5-11-19-12-14;/h7-10,14,19H,3-6,11-13H2,1-2H3,(H,20,22);1H
InChIKeyXYTZCVRTKLSFFW-UHFFFAOYSA-N
MW353.89 g/mol
LogP2.32
Rot. Bonds6

About 4-N,4-N-diethyl-1-N-(piperidin-3-ylmethyl)benzene-1,4-dicarboxamide;hydrochloride

4-N,4-N-diethyl-1-N-(piperidin-3-ylmethyl)benzene-1,4-dicarboxamide;hydrochloride (PubChem CID 119463375) has the molecular formula C18H28ClN3O2 and a molecular weight of 353.89 g/mol. Its IUPAC name is 4-N,4-N-diethyl-1-N-(piperidin-3-ylmethyl)benzene-1,4-dicarboxamide;hydrochloride.

Molecular Properties

Compound Name4-N,4-N-diethyl-1-N-(piperidin-3-ylmethyl)benzene-1,4-dicarboxamide;hydrochloride
PubChem CID119463375
Molecular FormulaC18H28ClN3O2
Molecular Weight353.89 g/mol
Exact Mass353.19
IUPAC Name4-N,4-N-diethyl-1-N-(piperidin-3-ylmethyl)benzene-1,4-dicarboxamide;hydrochloride
SMILESCCN(CC)C(=O)c1ccc(C(=O)NCC2CCCNC2)cc1.Cl
InChIInChI=1S/C18H27N3O2.ClH/c1-3-21(4-2)18(23)16-9-7-15(8-10-16)17(22)20-13-14-6-5-11-19-12-14;/h7-10,14,19H,3-6,11-13H2,1-2H3,(H,20,22);1H
InChIKeyXYTZCVRTKLSFFW-UHFFFAOYSA-N
XLogP2.32
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.89
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462898
4-(dimethylamino)-N-(piperidin-3-ylmethyl)benzamide
CID 43329219
N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119461032
N-(piperidin-3-ylmethyl)-4-(trifluoromethyl)benzamide
CID 24701631
4-(phenylcarbamoylamino)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462020
4-pentoxy-N-(piperidin-3-ylmethyl)benzamide
CID 119463502
4-[2-(dimethylamino)-2-oxoethyl]sulfonyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119463409
N-(piperidin-3-ylmethyl)-4-(trifluoromethylsulfanyl)benzamide;hydrochloride
CID 119462479
3-iodo-4-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 119464322
N-(cyclopropylmethyl)-4-piperidin-3-ylbenzamide;hydrochloride
CID 172654364
4-(difluoromethylsulfonyl)-N-(piperidin-3-ylmethyl)benzamide
CID 119461851
4-(phenylsulfanylmethyl)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119464249

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-diethyl-1-N-(piperidin-3-ylmethyl)benzene-1,4-dicarboxamide;hydrochloride?
The IUPAC name of 4-N,4-N-diethyl-1-N-(piperidin-3-ylmethyl)benzene-1,4-dicarboxamide;hydrochloride (CID 119463375) is 4-N,4-N-diethyl-1-N-(piperidin-3-ylmethyl)benzene-1,4-dicarboxamide;hydrochloride.
What is the SMILES notation for 4-N,4-N-diethyl-1-N-(piperidin-3-ylmethyl)benzene-1,4-dicarboxamide;hydrochloride?
The canonical SMILES for 4-N,4-N-diethyl-1-N-(piperidin-3-ylmethyl)benzene-1,4-dicarboxamide;hydrochloride is CCN(CC)C(=O)c1ccc(C(=O)NCC2CCCNC2)cc1.Cl.
What is the InChIKey of 4-N,4-N-diethyl-1-N-(piperidin-3-ylmethyl)benzene-1,4-dicarboxamide;hydrochloride?
The InChIKey is XYTZCVRTKLSFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2.ClH/c1-3-21(4-2)18(23)16-9-7-15(8-10-16)17(22)20-13-14-6-5-11-19-12-14;/h7-10,14,19H,3-6,11-13H2,1-2H3,(H,20,22);1H.
What are the key properties of 4-N,4-N-diethyl-1-N-(piperidin-3-ylmethyl)benzene-1,4-dicarboxamide;hydrochloride?
4-N,4-N-diethyl-1-N-(piperidin-3-ylmethyl)benzene-1,4-dicarboxamide;hydrochloride has a molecular weight of 353.89 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-diethyl-1-N-(piperidin-3-ylmethyl)benzene-1,4-dicarboxamide;hydrochloride is sourced from PubChem (CID 119463375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).