N-phenyl-N-[(3R,4R)-1-(2-phenylethyl)-3-prop-2-enylpiperidin-4-yl]propanamide

C25H32N2O — CID 121490834

IUPACN-phenyl-N-[(3R,4R)-1-(2-phenylethyl)-3-prop-2-enylpiperidin-4-yl]propanamide
SMILESC=CC[C@@H]1CN(CCc2ccccc2)CC[C@H]1N(C(=O)CC)c1ccccc1
InChIInChI=1S/C25H32N2O/c1-3-11-22-20-26(18-16-21-12-7-5-8-13-21)19-17-24(22)27(25(28)4-2)23-14-9-6-10-15-23/h3,5-10,12-15,22,24H,1,4,11,16-20H2,2H3/t22-,24-/m1/s1
InChIKeyBZXKQFFMDLTPJL-ISKFKSNPSA-N
MW376.54 g/mol
LogP4.94
Rot. Bonds8

About N-phenyl-N-[(3R,4R)-1-(2-phenylethyl)-3-prop-2-enylpiperidin-4-yl]propanamide

N-phenyl-N-[(3R,4R)-1-(2-phenylethyl)-3-prop-2-enylpiperidin-4-yl]propanamide (PubChem CID 121490834) has the molecular formula C25H32N2O and a molecular weight of 376.54 g/mol. Its IUPAC name is N-phenyl-N-[(3R,4R)-1-(2-phenylethyl)-3-prop-2-enylpiperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-phenyl-N-[(3R,4R)-1-(2-phenylethyl)-3-prop-2-enylpiperidin-4-yl]propanamide
PubChem CID121490834
Molecular FormulaC25H32N2O
Molecular Weight376.54 g/mol
Exact Mass376.25
IUPAC NameN-phenyl-N-[(3R,4R)-1-(2-phenylethyl)-3-prop-2-enylpiperidin-4-yl]propanamide
SMILESC=CC[C@@H]1CN(CCc2ccccc2)CC[C@H]1N(C(=O)CC)c1ccccc1
InChIInChI=1S/C25H32N2O/c1-3-11-22-20-26(18-16-21-12-7-5-8-13-21)19-17-24(22)27(25(28)4-2)23-14-9-6-10-15-23/h3,5-10,12-15,22,24H,1,4,11,16-20H2,2H3/t22-,24-/m1/s1
InChIKeyBZXKQFFMDLTPJL-ISKFKSNPSA-N
XLogP4.94
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.54
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(3R,4S)-3-butyl-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide
CID 53344605
N-[3-acetyl-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide;N-phenyl-N-[1-(2-phenylethyl)-3-propanoylpiperidin-4-yl]propanamide
CID 157116198
N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 3345
(E)-but-2-enedioic acid;N-phenyl-N-[1-(2-phenylethyl)pyrrolidin-3-yl]propanamide
CID 6445104
ethane;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 160668171
but-2-enedioic acid;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 68613507
N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide azide
CID 126650510
N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide sulfate
CID 53341505
N-(2-fluorophenyl)-N-[(3S,4R)-3-hydroxy-1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 54355045
N-(2-fluorophenyl)-N-[(3R,4S)-3-hydroxy-1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 67896242
3-[3-methyl-4-(N-propanoylanilino)piperidin-1-yl]propanoic acid
CID 57141951
1,1-diethoxyethane;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 166758697

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[(3R,4R)-1-(2-phenylethyl)-3-prop-2-enylpiperidin-4-yl]propanamide?
The IUPAC name of N-phenyl-N-[(3R,4R)-1-(2-phenylethyl)-3-prop-2-enylpiperidin-4-yl]propanamide (CID 121490834) is N-phenyl-N-[(3R,4R)-1-(2-phenylethyl)-3-prop-2-enylpiperidin-4-yl]propanamide.
What is the SMILES notation for N-phenyl-N-[(3R,4R)-1-(2-phenylethyl)-3-prop-2-enylpiperidin-4-yl]propanamide?
The canonical SMILES for N-phenyl-N-[(3R,4R)-1-(2-phenylethyl)-3-prop-2-enylpiperidin-4-yl]propanamide is C=CC[C@@H]1CN(CCc2ccccc2)CC[C@H]1N(C(=O)CC)c1ccccc1.
What is the InChIKey of N-phenyl-N-[(3R,4R)-1-(2-phenylethyl)-3-prop-2-enylpiperidin-4-yl]propanamide?
The InChIKey is BZXKQFFMDLTPJL-ISKFKSNPSA-N. The full InChI is InChI=1S/C25H32N2O/c1-3-11-22-20-26(18-16-21-12-7-5-8-13-21)19-17-24(22)27(25(28)4-2)23-14-9-6-10-15-23/h3,5-10,12-15,22,24H,1,4,11,16-20H2,2H3/t22-,24-/m1/s1.
What are the key properties of N-phenyl-N-[(3R,4R)-1-(2-phenylethyl)-3-prop-2-enylpiperidin-4-yl]propanamide?
N-phenyl-N-[(3R,4R)-1-(2-phenylethyl)-3-prop-2-enylpiperidin-4-yl]propanamide has a molecular weight of 376.54 g/mol, XLogP of 4.94, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[(3R,4R)-1-(2-phenylethyl)-3-prop-2-enylpiperidin-4-yl]propanamide is sourced from PubChem (CID 121490834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).