4-(dimethylamino)-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]benzamide

C19H31N3O — CID 55735171

IUPAC4-(dimethylamino)-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]benzamide
SMILESCC1CC(C)CN(CCCNC(=O)c2ccc(N(C)C)cc2)C1
InChIInChI=1S/C19H31N3O/c1-15-12-16(2)14-22(13-15)11-5-10-20-19(23)17-6-8-18(9-7-17)21(3)4/h6-9,15-16H,5,10-14H2,1-4H3,(H,20,23)
InChIKeyIAEKAZZWLRDJKT-UHFFFAOYSA-N
MW317.48 g/mol
LogP2.85
Rot. Bonds6

About 4-(dimethylamino)-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]benzamide

4-(dimethylamino)-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]benzamide (PubChem CID 55735171) has the molecular formula C19H31N3O and a molecular weight of 317.48 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]benzamide
PubChem CID55735171
Molecular FormulaC19H31N3O
Molecular Weight317.48 g/mol
Exact Mass317.25
IUPAC Name4-(dimethylamino)-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]benzamide
SMILESCC1CC(C)CN(CCCNC(=O)c2ccc(N(C)C)cc2)C1
InChIInChI=1S/C19H31N3O/c1-15-12-16(2)14-22(13-15)11-5-10-20-19(23)17-6-8-18(9-7-17)21(3)4/h6-9,15-16H,5,10-14H2,1-4H3,(H,20,23)
InChIKeyIAEKAZZWLRDJKT-UHFFFAOYSA-N
XLogP2.85
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4-(dimethylsulfamoyl)benzamide
CID 55782424
N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-4-(methoxymethyl)benzamide
CID 51726434
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 55735264
N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-4-(ethylsulfamoyl)benzamide
CID 55811483
4-(dimethylamino)-N-(4-piperidin-1-ylbutyl)benzamide
CID 110444431
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[4-(3,5-dimethylpiperidin-1-yl)butyl]benzamide
CID 55811580
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4-[(1,3-dioxoisoindol-2-yl)methyl]benzamide
CID 55782044
N-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]butyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 51948819
N-[3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propyl]-4-methyl-3-nitrobenzamide
CID 51525429
N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-4-propan-2-ylbenzamide
CID 58977021
N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propyl]-2,5-dimethylbenzamide
CID 100532484
4-(cyclopropylsulfamoyl)-N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]benzamide
CID 55723380

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]benzamide?
The IUPAC name of 4-(dimethylamino)-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]benzamide (CID 55735171) is 4-(dimethylamino)-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]benzamide?
The canonical SMILES for 4-(dimethylamino)-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]benzamide is CC1CC(C)CN(CCCNC(=O)c2ccc(N(C)C)cc2)C1.
What is the InChIKey of 4-(dimethylamino)-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]benzamide?
The InChIKey is IAEKAZZWLRDJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O/c1-15-12-16(2)14-22(13-15)11-5-10-20-19(23)17-6-8-18(9-7-17)21(3)4/h6-9,15-16H,5,10-14H2,1-4H3,(H,20,23).
What are the key properties of 4-(dimethylamino)-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]benzamide?
4-(dimethylamino)-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]benzamide has a molecular weight of 317.48 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]benzamide is sourced from PubChem (CID 55735171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).