3-[acetyl(2-phenylethyl)amino]-N-(4-piperidin-1-ylphenyl)propanamide

C24H31N3O2 — CID 113120870

IUPAC3-[acetyl(2-phenylethyl)amino]-N-(4-piperidin-1-ylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(N2CCCCC2)cc1)CCc1ccccc1
InChIInChI=1S/C24H31N3O2/c1-20(28)26(18-14-21-8-4-2-5-9-21)19-15-24(29)25-22-10-12-23(13-11-22)27-16-6-3-7-17-27/h2,4-5,8-13H,3,6-7,14-19H2,1H3,(H,25,29)
InChIKeyXSTMFHAJDPZKCK-UHFFFAOYSA-N
MW393.53 g/mol
LogP4.10
Rot. Bonds8

About 3-[acetyl(2-phenylethyl)amino]-N-(4-piperidin-1-ylphenyl)propanamide

3-[acetyl(2-phenylethyl)amino]-N-(4-piperidin-1-ylphenyl)propanamide (PubChem CID 113120870) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is 3-[acetyl(2-phenylethyl)amino]-N-(4-piperidin-1-ylphenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl(2-phenylethyl)amino]-N-(4-piperidin-1-ylphenyl)propanamide
PubChem CID113120870
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC Name3-[acetyl(2-phenylethyl)amino]-N-(4-piperidin-1-ylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(N2CCCCC2)cc1)CCc1ccccc1
InChIInChI=1S/C24H31N3O2/c1-20(28)26(18-14-21-8-4-2-5-9-21)19-15-24(29)25-22-10-12-23(13-11-22)27-16-6-3-7-17-27/h2,4-5,8-13H,3,6-7,14-19H2,1H3,(H,25,29)
InChIKeyXSTMFHAJDPZKCK-UHFFFAOYSA-N
XLogP4.10
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-[acetyl(2-phenylethyl)amino]-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 113120869
3-[acetyl(2-phenylethyl)amino]-N-(4-ethylphenyl)propanamide
CID 113120822
3-[acetyl(2-phenylethyl)amino]-N-(4-chlorophenyl)propanamide
CID 113120836
3-[acetyl(2-methylpropyl)amino]-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 113116063
N-[4-(azepan-1-yl)phenyl]-2-phenylacetamide
CID 16620353
3-[acetyl(2-phenylethyl)amino]-N-(3,5-dimethylphenyl)propanamide
CID 113120818
3-(N-acetyl-2-ethylanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 113125296
3-[acetyl(2-phenylethyl)amino]-N-(3-methylphenyl)propanamide
CID 113120810
N'-benzyl-N'-ethyl-N-(4-piperidin-1-ylphenyl)propanediamide
CID 108947396
3-(benzylamino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 109019030
3-[acetyl(3-methylbutyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide
CID 113122956
N-[4-(azepan-1-yl)phenyl]butanamide
CID 60593025

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(2-phenylethyl)amino]-N-(4-piperidin-1-ylphenyl)propanamide?
The IUPAC name of 3-[acetyl(2-phenylethyl)amino]-N-(4-piperidin-1-ylphenyl)propanamide (CID 113120870) is 3-[acetyl(2-phenylethyl)amino]-N-(4-piperidin-1-ylphenyl)propanamide.
What is the SMILES notation for 3-[acetyl(2-phenylethyl)amino]-N-(4-piperidin-1-ylphenyl)propanamide?
The canonical SMILES for 3-[acetyl(2-phenylethyl)amino]-N-(4-piperidin-1-ylphenyl)propanamide is CC(=O)N(CCC(=O)Nc1ccc(N2CCCCC2)cc1)CCc1ccccc1.
What is the InChIKey of 3-[acetyl(2-phenylethyl)amino]-N-(4-piperidin-1-ylphenyl)propanamide?
The InChIKey is XSTMFHAJDPZKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-20(28)26(18-14-21-8-4-2-5-9-21)19-15-24(29)25-22-10-12-23(13-11-22)27-16-6-3-7-17-27/h2,4-5,8-13H,3,6-7,14-19H2,1H3,(H,25,29).
What are the key properties of 3-[acetyl(2-phenylethyl)amino]-N-(4-piperidin-1-ylphenyl)propanamide?
3-[acetyl(2-phenylethyl)amino]-N-(4-piperidin-1-ylphenyl)propanamide has a molecular weight of 393.53 g/mol, XLogP of 4.10, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(2-phenylethyl)amino]-N-(4-piperidin-1-ylphenyl)propanamide is sourced from PubChem (CID 113120870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).