4-(diethylamino)-N-(3-piperidin-1-ylpropyl)benzamide

C19H31N3O — CID 11638289

IUPAC4-(diethylamino)-N-(3-piperidin-1-ylpropyl)benzamide
SMILESCCN(CC)c1ccc(C(=O)NCCCN2CCCCC2)cc1
InChIInChI=1S/C19H31N3O/c1-3-22(4-2)18-11-9-17(10-12-18)19(23)20-13-8-16-21-14-6-5-7-15-21/h9-12H,3-8,13-16H2,1-2H3,(H,20,23)
InChIKeyNRVGDXDQLHDIMW-UHFFFAOYSA-N
MW317.48 g/mol
LogP3.14
Rot. Bonds8

About 4-(diethylamino)-N-(3-piperidin-1-ylpropyl)benzamide

4-(diethylamino)-N-(3-piperidin-1-ylpropyl)benzamide (PubChem CID 11638289) has the molecular formula C19H31N3O and a molecular weight of 317.48 g/mol. Its IUPAC name is 4-(diethylamino)-N-(3-piperidin-1-ylpropyl)benzamide.

Molecular Properties

Compound Name4-(diethylamino)-N-(3-piperidin-1-ylpropyl)benzamide
PubChem CID11638289
Molecular FormulaC19H31N3O
Molecular Weight317.48 g/mol
Exact Mass317.25
IUPAC Name4-(diethylamino)-N-(3-piperidin-1-ylpropyl)benzamide
SMILESCCN(CC)c1ccc(C(=O)NCCCN2CCCCC2)cc1
InChIInChI=1S/C19H31N3O/c1-3-22(4-2)18-11-9-17(10-12-18)19(23)20-13-8-16-21-14-6-5-7-15-21/h9-12H,3-8,13-16H2,1-2H3,(H,20,23)
InChIKeyNRVGDXDQLHDIMW-UHFFFAOYSA-N
XLogP3.14
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 53.14
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

4-(dimethylamino)-N-(4-piperidin-1-ylbutyl)benzamide
CID 110444431
4-[ethyl(propyl)amino]-N-(3-piperazin-1-ylpropyl)benzamide
CID 119390940
4-(diethylamino)-N-(4-hydroxybutyl)benzamide
CID 106843290
4-cyano-N-(3-piperidin-1-ylpropyl)benzamide
CID 11608750
N-(3-piperidin-1-ylpropyl)-4-pyrrol-1-ylbenzamide
CID 11630984
4-(diethylamino)-N-(3-methoxypropyl)benzamide
CID 17310827
3,5-dibromo-N-(3-piperidin-1-ylpropyl)benzamide
CID 107980133
4-(methylamino)-N-(2-piperidin-1-ylethyl)benzamide
CID 62173827
N-[3-(azepan-1-yl)propyl]-4-(tert-butylsulfamoyl)benzamide
CID 30942643
1-[4-(diethylamino)phenyl]-2-piperidin-1-ylethanone
CID 93193971
4-bromo-3-methyl-N-(3-piperidin-1-ylpropyl)benzamide
CID 115769516
4-(piperidin-1-ylsulfonylmethyl)-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 28566921

Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)-N-(3-piperidin-1-ylpropyl)benzamide?
The IUPAC name of 4-(diethylamino)-N-(3-piperidin-1-ylpropyl)benzamide (CID 11638289) is 4-(diethylamino)-N-(3-piperidin-1-ylpropyl)benzamide.
What is the SMILES notation for 4-(diethylamino)-N-(3-piperidin-1-ylpropyl)benzamide?
The canonical SMILES for 4-(diethylamino)-N-(3-piperidin-1-ylpropyl)benzamide is CCN(CC)c1ccc(C(=O)NCCCN2CCCCC2)cc1.
What is the InChIKey of 4-(diethylamino)-N-(3-piperidin-1-ylpropyl)benzamide?
The InChIKey is NRVGDXDQLHDIMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O/c1-3-22(4-2)18-11-9-17(10-12-18)19(23)20-13-8-16-21-14-6-5-7-15-21/h9-12H,3-8,13-16H2,1-2H3,(H,20,23).
What are the key properties of 4-(diethylamino)-N-(3-piperidin-1-ylpropyl)benzamide?
4-(diethylamino)-N-(3-piperidin-1-ylpropyl)benzamide has a molecular weight of 317.48 g/mol, XLogP of 3.14, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)-N-(3-piperidin-1-ylpropyl)benzamide is sourced from PubChem (CID 11638289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).