N-[(3R,4S)-3-butyl-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide

C26H36N2O — CID 53344605

IUPACN-[(3R,4S)-3-butyl-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide
SMILESCCCC[C@@H]1CN(CCc2ccccc2)CC[C@@H]1N(C(=O)CC)c1ccccc1
InChIInChI=1S/C26H36N2O/c1-3-5-14-23-21-27(19-17-22-12-8-6-9-13-22)20-18-25(23)28(26(29)4-2)24-15-10-7-11-16-24/h6-13,15-16,23,25H,3-5,14,17-21H2,1-2H3/t23-,25+/m1/s1
InChIKeyPHDMJGPUZGEPPT-NOZRDPDXSA-N
MW392.59 g/mol
LogP5.55
Rot. Bonds9

About N-[(3R,4S)-3-butyl-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide

N-[(3R,4S)-3-butyl-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide (PubChem CID 53344605) has the molecular formula C26H36N2O and a molecular weight of 392.59 g/mol. Its IUPAC name is N-[(3R,4S)-3-butyl-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide.

Molecular Properties

Compound NameN-[(3R,4S)-3-butyl-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide
PubChem CID53344605
Molecular FormulaC26H36N2O
Molecular Weight392.59 g/mol
Exact Mass392.28
IUPAC NameN-[(3R,4S)-3-butyl-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide
SMILESCCCC[C@@H]1CN(CCc2ccccc2)CC[C@@H]1N(C(=O)CC)c1ccccc1
InChIInChI=1S/C26H36N2O/c1-3-5-14-23-21-27(19-17-22-12-8-6-9-13-22)20-18-25(23)28(26(29)4-2)24-15-10-7-11-16-24/h6-13,15-16,23,25H,3-5,14,17-21H2,1-2H3/t23-,25+/m1/s1
InChIKeyPHDMJGPUZGEPPT-NOZRDPDXSA-N
XLogP5.55
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.59
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-phenyl-N-[(3R,4R)-1-(2-phenylethyl)-3-prop-2-enylpiperidin-4-yl]propanamide
CID 121490834
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
ethane;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 160668171
(E)-but-2-enedioic acid;N-phenyl-N-[1-(2-phenylethyl)pyrrolidin-3-yl]propanamide
CID 6445104
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
but-2-enedioic acid;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 68613507
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
N-(1-butylpiperidin-4-yl)-N-phenylpropanamide
CID 91753688
3-[3-methyl-4-(N-propanoylanilino)piperidin-1-yl]propanoic acid
CID 57141951

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-3-butyl-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide?
The IUPAC name of N-[(3R,4S)-3-butyl-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide (CID 53344605) is N-[(3R,4S)-3-butyl-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide.
What is the SMILES notation for N-[(3R,4S)-3-butyl-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide?
The canonical SMILES for N-[(3R,4S)-3-butyl-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide is CCCC[C@@H]1CN(CCc2ccccc2)CC[C@@H]1N(C(=O)CC)c1ccccc1.
What is the InChIKey of N-[(3R,4S)-3-butyl-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide?
The InChIKey is PHDMJGPUZGEPPT-NOZRDPDXSA-N. The full InChI is InChI=1S/C26H36N2O/c1-3-5-14-23-21-27(19-17-22-12-8-6-9-13-22)20-18-25(23)28(26(29)4-2)24-15-10-7-11-16-24/h6-13,15-16,23,25H,3-5,14,17-21H2,1-2H3/t23-,25+/m1/s1.
What are the key properties of N-[(3R,4S)-3-butyl-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide?
N-[(3R,4S)-3-butyl-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide has a molecular weight of 392.59 g/mol, XLogP of 5.55, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-3-butyl-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide is sourced from PubChem (CID 53344605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).