N-(1,3-dimethylpiperidin-4-yl)-4-(propylamino)benzamide

C17H27N3O — CID 114505976

IUPACN-(1,3-dimethylpiperidin-4-yl)-4-(propylamino)benzamide
SMILESCCCNc1ccc(C(=O)NC2CCN(C)CC2C)cc1
InChIInChI=1S/C17H27N3O/c1-4-10-18-15-7-5-14(6-8-15)17(21)19-16-9-11-20(3)12-13(16)2/h5-8,13,16,18H,4,9-12H2,1-3H3,(H,19,21)
InChIKeyPPZIVNXFOMOXSH-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.58
Rot. Bonds5

About N-(1,3-dimethylpiperidin-4-yl)-4-(propylamino)benzamide

N-(1,3-dimethylpiperidin-4-yl)-4-(propylamino)benzamide (PubChem CID 114505976) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-(1,3-dimethylpiperidin-4-yl)-4-(propylamino)benzamide.

Molecular Properties

Compound NameN-(1,3-dimethylpiperidin-4-yl)-4-(propylamino)benzamide
PubChem CID114505976
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-(1,3-dimethylpiperidin-4-yl)-4-(propylamino)benzamide
SMILESCCCNc1ccc(C(=O)NC2CCN(C)CC2C)cc1
InChIInChI=1S/C17H27N3O/c1-4-10-18-15-7-5-14(6-8-15)17(21)19-16-9-11-20(3)12-13(16)2/h5-8,13,16,18H,4,9-12H2,1-3H3,(H,19,21)
InChIKeyPPZIVNXFOMOXSH-UHFFFAOYSA-N
XLogP2.58
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylcyclopentyl)-4-(propylamino)benzamide
CID 63279400
N-(1,3-dimethylpiperidin-4-yl)-4-sulfanylbenzamide
CID 107036333
N-[(1-methylpyrrolidin-3-yl)methyl]-4-(propylamino)benzamide
CID 62180024
3-bromo-N-(1,3-dimethylpiperidin-4-yl)-4-methylbenzamide
CID 113247797
N-cyclobutyl-4-(propylamino)benzamide
CID 55067083
N-(3-methylcyclopentyl)-4-(propylamino)benzamide
CID 114540645
N-cyclooctyl-4-(propylamino)benzamide
CID 62172072
N-(1,3-dimethylpiperidin-4-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 114504320
N-(1,3-dimethylpiperidin-4-yl)-2,3-dihydroxybenzamide
CID 114504406
N-(3-methylcyclohexyl)-4-(propylamino)benzamide
CID 62169172
N-(1,3-dimethylpiperidin-4-yl)-3,5-difluoro-4-hydrazinylbenzamide
CID 114505992
(3-methylpyrrolidin-1-yl)-[4-(propylamino)phenyl]methanone
CID 62179564

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethylpiperidin-4-yl)-4-(propylamino)benzamide?
The IUPAC name of N-(1,3-dimethylpiperidin-4-yl)-4-(propylamino)benzamide (CID 114505976) is N-(1,3-dimethylpiperidin-4-yl)-4-(propylamino)benzamide.
What is the SMILES notation for N-(1,3-dimethylpiperidin-4-yl)-4-(propylamino)benzamide?
The canonical SMILES for N-(1,3-dimethylpiperidin-4-yl)-4-(propylamino)benzamide is CCCNc1ccc(C(=O)NC2CCN(C)CC2C)cc1.
What is the InChIKey of N-(1,3-dimethylpiperidin-4-yl)-4-(propylamino)benzamide?
The InChIKey is PPZIVNXFOMOXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-4-10-18-15-7-5-14(6-8-15)17(21)19-16-9-11-20(3)12-13(16)2/h5-8,13,16,18H,4,9-12H2,1-3H3,(H,19,21).
What are the key properties of N-(1,3-dimethylpiperidin-4-yl)-4-(propylamino)benzamide?
N-(1,3-dimethylpiperidin-4-yl)-4-(propylamino)benzamide has a molecular weight of 289.42 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethylpiperidin-4-yl)-4-(propylamino)benzamide is sourced from PubChem (CID 114505976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).