N-benzyl-3-(2-ethylpiperidin-1-yl)-N-phenylpropanamide

C23H30N2O — CID 109032779

IUPACN-benzyl-3-(2-ethylpiperidin-1-yl)-N-phenylpropanamide
SMILESCCC1CCCCN1CCC(=O)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C23H30N2O/c1-2-21-13-9-10-17-24(21)18-16-23(26)25(22-14-7-4-8-15-22)19-20-11-5-3-6-12-20/h3-8,11-12,14-15,21H,2,9-10,13,16-19H2,1H3
InChIKeyKETAGGJYCAVFTM-UHFFFAOYSA-N
MW350.51 g/mol
LogP4.87
Rot. Bonds7

About N-benzyl-3-(2-ethylpiperidin-1-yl)-N-phenylpropanamide

N-benzyl-3-(2-ethylpiperidin-1-yl)-N-phenylpropanamide (PubChem CID 109032779) has the molecular formula C23H30N2O and a molecular weight of 350.51 g/mol. Its IUPAC name is N-benzyl-3-(2-ethylpiperidin-1-yl)-N-phenylpropanamide.

Molecular Properties

Compound NameN-benzyl-3-(2-ethylpiperidin-1-yl)-N-phenylpropanamide
PubChem CID109032779
Molecular FormulaC23H30N2O
Molecular Weight350.51 g/mol
Exact Mass350.24
IUPAC NameN-benzyl-3-(2-ethylpiperidin-1-yl)-N-phenylpropanamide
SMILESCCC1CCCCN1CCC(=O)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C23H30N2O/c1-2-21-13-9-10-17-24(21)18-16-23(26)25(22-14-7-4-8-15-22)19-20-11-5-3-6-12-20/h3-8,11-12,14-15,21H,2,9-10,13,16-19H2,1H3
InChIKeyKETAGGJYCAVFTM-UHFFFAOYSA-N
XLogP4.87
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-3-(2-ethylpiperidin-1-yl)-N-methylpropanamide
CID 109020436
N-benzyl-3-(4-methylpiperidin-1-yl)-N-phenylpropanamide
CID 109014601
1-(2-ethylazepan-1-yl)-3-phenylpropan-2-one
CID 113441826
N-benzyl-3-[[N-[2-(2-ethylpiperidin-1-yl)ethyl]-N'-methylcarbamimidoyl]amino]-N-methylpropanamide
CID 111568195
N-benzyl-3-(cyclopentylamino)-N-phenylpropanamide
CID 109013738
3-[(2R)-2-benzylpiperidin-1-yl]propanoic acid
CID 97214231
N-benzyl-2-(1-methylpiperidin-4-yl)-N-phenylacetamide
CID 110754688
2-(2-ethylazepan-1-yl)-1-phenylethanone
CID 104690677
N-ethyl-2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-phenylacetamide
CID 60690329
3-[3-[(2-ethylpiperidin-1-yl)methyl]phenyl]propanoic acid
CID 84758596
2-[(2S)-2-benzylpyrrolidin-1-yl]-1-[(2S)-2-ethylpiperidin-1-yl]ethanone
CID 124838955
N-benzyl-N-[2-(2-ethylpiperidin-1-yl)ethyl]-4-propylbenzenesulfonamide
CID 51353457

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(2-ethylpiperidin-1-yl)-N-phenylpropanamide?
The IUPAC name of N-benzyl-3-(2-ethylpiperidin-1-yl)-N-phenylpropanamide (CID 109032779) is N-benzyl-3-(2-ethylpiperidin-1-yl)-N-phenylpropanamide.
What is the SMILES notation for N-benzyl-3-(2-ethylpiperidin-1-yl)-N-phenylpropanamide?
The canonical SMILES for N-benzyl-3-(2-ethylpiperidin-1-yl)-N-phenylpropanamide is CCC1CCCCN1CCC(=O)N(Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-benzyl-3-(2-ethylpiperidin-1-yl)-N-phenylpropanamide?
The InChIKey is KETAGGJYCAVFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O/c1-2-21-13-9-10-17-24(21)18-16-23(26)25(22-14-7-4-8-15-22)19-20-11-5-3-6-12-20/h3-8,11-12,14-15,21H,2,9-10,13,16-19H2,1H3.
What are the key properties of N-benzyl-3-(2-ethylpiperidin-1-yl)-N-phenylpropanamide?
N-benzyl-3-(2-ethylpiperidin-1-yl)-N-phenylpropanamide has a molecular weight of 350.51 g/mol, XLogP of 4.87, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(2-ethylpiperidin-1-yl)-N-phenylpropanamide is sourced from PubChem (CID 109032779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).