N-[3-acetyl-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide;N-phenyl-N-[1-(2-phenylethyl)-3-propanoylpiperidin-4-yl]propanamide

C49H62N4O4 — CID 157116198

IUPACN-[3-acetyl-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide;N-phenyl-N-[1-(2-phenylethyl)-3-propanoylpiperidin-4-yl]propanamide
SMILESCCC(=O)C1CN(CCc2ccccc2)CCC1N(C(=O)CC)c1ccccc1.CCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1C(C)=O
InChIInChI=1S/C25H32N2O2.C24H30N2O2/c1-3-24(28)22-19-26(17-15-20-11-7-5-8-12-20)18-16-23(22)27(25(29)4-2)21-13-9-6-10-14-21;1-3-24(28)26(21-12-8-5-9-13-21)23-15-17-25(18-22(23)19(2)27)16-14-20-10-6-4-7-11-20/h5-14,22-23H,3-4,15-19H2,1-2H3;4-13,22-23H,3,14-18H2,1-2H3
InChIKeyAHKYJSIVHGIQJK-UHFFFAOYSA-N
MW771.06 g/mol
LogP8.29
Rot. Bonds15

About N-[3-acetyl-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide;N-phenyl-N-[1-(2-phenylethyl)-3-propanoylpiperidin-4-yl]propanamide

N-[3-acetyl-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide;N-phenyl-N-[1-(2-phenylethyl)-3-propanoylpiperidin-4-yl]propanamide (PubChem CID 157116198) has the molecular formula C49H62N4O4 and a molecular weight of 771.06 g/mol. Its IUPAC name is N-[3-acetyl-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide;N-phenyl-N-[1-(2-phenylethyl)-3-propanoylpiperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-[3-acetyl-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide;N-phenyl-N-[1-(2-phenylethyl)-3-propanoylpiperidin-4-yl]propanamide
PubChem CID157116198
Molecular FormulaC49H62N4O4
Molecular Weight771.06 g/mol
Exact Mass770.48
IUPAC NameN-[3-acetyl-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide;N-phenyl-N-[1-(2-phenylethyl)-3-propanoylpiperidin-4-yl]propanamide
SMILESCCC(=O)C1CN(CCc2ccccc2)CCC1N(C(=O)CC)c1ccccc1.CCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1C(C)=O
InChIInChI=1S/C25H32N2O2.C24H30N2O2/c1-3-24(28)22-19-26(17-15-20-11-7-5-8-12-20)18-16-23(22)27(25(29)4-2)21-13-9-6-10-14-21;1-3-24(28)26(21-12-8-5-9-13-21)23-15-17-25(18-22(23)19(2)27)16-14-20-10-6-4-7-11-20/h5-14,22-23H,3-4,15-19H2,1-2H3;4-13,22-23H,3,14-18H2,1-2H3
InChIKeyAHKYJSIVHGIQJK-UHFFFAOYSA-N
XLogP8.29
TPSA81.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500771.06
LogP ≤ 58.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[3-acetyl-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide;N-phenyl-N-[1-(2-phenylethyl)-3-propanoylpiperidin-4-yl]propanamide with MolForge

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Related Compounds

N-[(3R,4S)-3-butyl-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide
CID 53344605
N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 3345
N-phenyl-N-[(3R,4R)-1-(2-phenylethyl)-3-prop-2-enylpiperidin-4-yl]propanamide
CID 121490834
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
methyl 1-[2-(N-methylanilino)ethyl]-4-(N-propanoylanilino)piperidine-3-carboxylate
CID 3074357
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
3-[3-methyl-4-(N-propanoylanilino)piperidin-1-yl]propanoic acid
CID 57141951

Frequently Asked Questions

What is the IUPAC name of N-[3-acetyl-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide;N-phenyl-N-[1-(2-phenylethyl)-3-propanoylpiperidin-4-yl]propanamide?
The IUPAC name of N-[3-acetyl-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide;N-phenyl-N-[1-(2-phenylethyl)-3-propanoylpiperidin-4-yl]propanamide (CID 157116198) is N-[3-acetyl-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide;N-phenyl-N-[1-(2-phenylethyl)-3-propanoylpiperidin-4-yl]propanamide.
What is the SMILES notation for N-[3-acetyl-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide;N-phenyl-N-[1-(2-phenylethyl)-3-propanoylpiperidin-4-yl]propanamide?
The canonical SMILES for N-[3-acetyl-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide;N-phenyl-N-[1-(2-phenylethyl)-3-propanoylpiperidin-4-yl]propanamide is CCC(=O)C1CN(CCc2ccccc2)CCC1N(C(=O)CC)c1ccccc1.CCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1C(C)=O.
What is the InChIKey of N-[3-acetyl-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide;N-phenyl-N-[1-(2-phenylethyl)-3-propanoylpiperidin-4-yl]propanamide?
The InChIKey is AHKYJSIVHGIQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O2.C24H30N2O2/c1-3-24(28)22-19-26(17-15-20-11-7-5-8-12-20)18-16-23(22)27(25(29)4-2)21-13-9-6-10-14-21;1-3-24(28)26(21-12-8-5-9-13-21)23-15-17-25(18-22(23)19(2)27)16-14-20-10-6-4-7-11-20/h5-14,22-23H,3-4,15-19H2,1-2H3;4-13,22-23H,3,14-18H2,1-2H3.
What are the key properties of N-[3-acetyl-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide;N-phenyl-N-[1-(2-phenylethyl)-3-propanoylpiperidin-4-yl]propanamide?
N-[3-acetyl-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide;N-phenyl-N-[1-(2-phenylethyl)-3-propanoylpiperidin-4-yl]propanamide has a molecular weight of 771.06 g/mol, XLogP of 8.29, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-acetyl-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide;N-phenyl-N-[1-(2-phenylethyl)-3-propanoylpiperidin-4-yl]propanamide is sourced from PubChem (CID 157116198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).