N-(2-aminoethyl)-N-(2-phenylethyl)-4-piperidin-1-ylbenzamide

C22H29N3O — CID 120884964

IUPACN-(2-aminoethyl)-N-(2-phenylethyl)-4-piperidin-1-ylbenzamide
SMILESNCCN(CCc1ccccc1)C(=O)c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C22H29N3O/c23-14-18-25(17-13-19-7-3-1-4-8-19)22(26)20-9-11-21(12-10-20)24-15-5-2-6-16-24/h1,3-4,7-12H,2,5-6,13-18,23H2
InChIKeyMRFZBUKKNRJROI-UHFFFAOYSA-N
MW351.49 g/mol
LogP3.32
Rot. Bonds7

About N-(2-aminoethyl)-N-(2-phenylethyl)-4-piperidin-1-ylbenzamide

N-(2-aminoethyl)-N-(2-phenylethyl)-4-piperidin-1-ylbenzamide (PubChem CID 120884964) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-(2-phenylethyl)-4-piperidin-1-ylbenzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-(2-phenylethyl)-4-piperidin-1-ylbenzamide
PubChem CID120884964
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC NameN-(2-aminoethyl)-N-(2-phenylethyl)-4-piperidin-1-ylbenzamide
SMILESNCCN(CCc1ccccc1)C(=O)c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C22H29N3O/c23-14-18-25(17-13-19-7-3-1-4-8-19)22(26)20-9-11-21(12-10-20)24-15-5-2-6-16-24/h1,3-4,7-12H,2,5-6,13-18,23H2
InChIKeyMRFZBUKKNRJROI-UHFFFAOYSA-N
XLogP3.32
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-6-(azepan-1-yl)-N-(2-phenylethyl)pyridine-3-carboxamide;dihydrochloride
CID 120884645
N-(2-aminoethyl)-3-fluoro-N-(2-phenylethyl)-4-pyrrolidin-1-ylbenzamide
CID 120886194
N-(2-aminoethyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-phenylethyl)benzamide;hydrochloride
CID 120886797
4-acetyl-N-(2-aminoethyl)-N-(2-phenylethyl)benzamide;hydrochloride
CID 120885633
2-[(4-morpholin-4-ylbenzoyl)-(2-phenylethyl)amino]acetic acid
CID 119347604
4-N-(2-aminoethyl)-1-N-ethyl-4-N-(2-phenylethyl)-1-N-propylbenzene-1,4-dicarboxamide
CID 120884506
N-(2-aminoethyl)-4-ethoxy-N-(2-phenylethyl)benzamide;hydrochloride
CID 120885321
N-(2-aminoethyl)-2-methyl-1,3-dioxo-N-(2-phenylethyl)isoindole-5-carboxamide
CID 120886128
N-(2-aminoethyl)-4-(methylsulfamoyl)-N-(2-phenylethyl)benzamide
CID 120886326
N-(2-aminoethyl)-N-(2-phenylethyl)-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 120884588
N-(2-aminoethyl)-N-(2-phenylethyl)cyclohexanecarboxamide;hydrochloride
CID 120886157
N-(2-aminoethyl)-4-(methanesulfonamido)-N-(2-phenylethyl)benzamide;hydrochloride
CID 120884759

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-(2-phenylethyl)-4-piperidin-1-ylbenzamide?
The IUPAC name of N-(2-aminoethyl)-N-(2-phenylethyl)-4-piperidin-1-ylbenzamide (CID 120884964) is N-(2-aminoethyl)-N-(2-phenylethyl)-4-piperidin-1-ylbenzamide.
What is the SMILES notation for N-(2-aminoethyl)-N-(2-phenylethyl)-4-piperidin-1-ylbenzamide?
The canonical SMILES for N-(2-aminoethyl)-N-(2-phenylethyl)-4-piperidin-1-ylbenzamide is NCCN(CCc1ccccc1)C(=O)c1ccc(N2CCCCC2)cc1.
What is the InChIKey of N-(2-aminoethyl)-N-(2-phenylethyl)-4-piperidin-1-ylbenzamide?
The InChIKey is MRFZBUKKNRJROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O/c23-14-18-25(17-13-19-7-3-1-4-8-19)22(26)20-9-11-21(12-10-20)24-15-5-2-6-16-24/h1,3-4,7-12H,2,5-6,13-18,23H2.
What are the key properties of N-(2-aminoethyl)-N-(2-phenylethyl)-4-piperidin-1-ylbenzamide?
N-(2-aminoethyl)-N-(2-phenylethyl)-4-piperidin-1-ylbenzamide has a molecular weight of 351.49 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-(2-phenylethyl)-4-piperidin-1-ylbenzamide is sourced from PubChem (CID 120884964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).