N-(3-methylpiperidin-4-yl)-3-(propanoylamino)benzamide

C16H23N3O2 — CID 120554475

IUPACN-(3-methylpiperidin-4-yl)-3-(propanoylamino)benzamide
SMILESCCC(=O)Nc1cccc(C(=O)NC2CCNCC2C)c1
InChIInChI=1S/C16H23N3O2/c1-3-15(20)18-13-6-4-5-12(9-13)16(21)19-14-7-8-17-10-11(14)2/h4-6,9,11,14,17H,3,7-8,10H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyOVBWGHQYPPOUIG-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.76
Rot. Bonds4

About N-(3-methylpiperidin-4-yl)-3-(propanoylamino)benzamide

N-(3-methylpiperidin-4-yl)-3-(propanoylamino)benzamide (PubChem CID 120554475) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-(3-methylpiperidin-4-yl)-3-(propanoylamino)benzamide.

Molecular Properties

Compound NameN-(3-methylpiperidin-4-yl)-3-(propanoylamino)benzamide
PubChem CID120554475
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-(3-methylpiperidin-4-yl)-3-(propanoylamino)benzamide
SMILESCCC(=O)Nc1cccc(C(=O)NC2CCNCC2C)c1
InChIInChI=1S/C16H23N3O2/c1-3-15(20)18-13-6-4-5-12(9-13)16(21)19-14-7-8-17-10-11(14)2/h4-6,9,11,14,17H,3,7-8,10H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyOVBWGHQYPPOUIG-UHFFFAOYSA-N
XLogP1.76
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylpiperidin-4-yl)-3-(propan-2-ylcarbamoylamino)benzamide;hydrochloride
CID 120557334
3-N-(3-methylpiperidin-4-yl)benzene-1,3-dicarboxamide;hydrochloride
CID 120555486
3-(diethylsulfamoyl)-N-(3-methylpiperidin-4-yl)benzamide
CID 120556196
N-(3-methylpiperidin-4-yl)-3-(trifluoromethyl)benzamide
CID 79886276
N-(2-ethylsulfanylcyclopentyl)-3-(propanoylamino)benzamide
CID 71979758
3-(3-methoxypropoxy)-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120555078
4-[[3-(propanoylamino)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 119229392
4-methyl-N-(3-methylpiperidin-4-yl)-3-(phenylcarbamoylamino)benzamide;hydrochloride
CID 120553793
4-ethoxy-3-methoxy-N-(3-methylpiperidin-4-yl)benzamide
CID 120556500
3-[(1,3-dioxoisoindol-2-yl)methyl]-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120557136
N-(3-methylpiperidin-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 120555926
N-[3-(propanoylamino)phenyl]piperidine-4-carboxamide
CID 54794417

Frequently Asked Questions

What is the IUPAC name of N-(3-methylpiperidin-4-yl)-3-(propanoylamino)benzamide?
The IUPAC name of N-(3-methylpiperidin-4-yl)-3-(propanoylamino)benzamide (CID 120554475) is N-(3-methylpiperidin-4-yl)-3-(propanoylamino)benzamide.
What is the SMILES notation for N-(3-methylpiperidin-4-yl)-3-(propanoylamino)benzamide?
The canonical SMILES for N-(3-methylpiperidin-4-yl)-3-(propanoylamino)benzamide is CCC(=O)Nc1cccc(C(=O)NC2CCNCC2C)c1.
What is the InChIKey of N-(3-methylpiperidin-4-yl)-3-(propanoylamino)benzamide?
The InChIKey is OVBWGHQYPPOUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-3-15(20)18-13-6-4-5-12(9-13)16(21)19-14-7-8-17-10-11(14)2/h4-6,9,11,14,17H,3,7-8,10H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N-(3-methylpiperidin-4-yl)-3-(propanoylamino)benzamide?
N-(3-methylpiperidin-4-yl)-3-(propanoylamino)benzamide has a molecular weight of 289.38 g/mol, XLogP of 1.76, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylpiperidin-4-yl)-3-(propanoylamino)benzamide is sourced from PubChem (CID 120554475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).