N-phenyl-N-[4-phenyl-1-(2-phenylethyl)piperidin-4-yl]propanamide

C28H32N2O — CID 10319503

IUPACN-phenyl-N-[4-phenyl-1-(2-phenylethyl)piperidin-4-yl]propanamide
SMILESCCC(=O)N(c1ccccc1)C1(c2ccccc2)CCN(CCc2ccccc2)CC1
InChIInChI=1S/C28H32N2O/c1-2-27(31)30(26-16-10-5-11-17-26)28(25-14-8-4-9-15-25)19-22-29(23-20-28)21-18-24-12-6-3-7-13-24/h3-17H,2,18-23H2,1H3
InChIKeyBXCJXJLHYMWMQU-UHFFFAOYSA-N
MW412.58 g/mol
LogP5.66
Rot. Bonds7

About N-phenyl-N-[4-phenyl-1-(2-phenylethyl)piperidin-4-yl]propanamide

N-phenyl-N-[4-phenyl-1-(2-phenylethyl)piperidin-4-yl]propanamide (PubChem CID 10319503) has the molecular formula C28H32N2O and a molecular weight of 412.58 g/mol. Its IUPAC name is N-phenyl-N-[4-phenyl-1-(2-phenylethyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-phenyl-N-[4-phenyl-1-(2-phenylethyl)piperidin-4-yl]propanamide
PubChem CID10319503
Molecular FormulaC28H32N2O
Molecular Weight412.58 g/mol
Exact Mass412.25
IUPAC NameN-phenyl-N-[4-phenyl-1-(2-phenylethyl)piperidin-4-yl]propanamide
SMILESCCC(=O)N(c1ccccc1)C1(c2ccccc2)CCN(CCc2ccccc2)CC1
InChIInChI=1S/C28H32N2O/c1-2-27(31)30(26-16-10-5-11-17-26)28(25-14-8-4-9-15-25)19-22-29(23-20-28)21-18-24-12-6-3-7-13-24/h3-17H,2,18-23H2,1H3
InChIKeyBXCJXJLHYMWMQU-UHFFFAOYSA-N
XLogP5.66
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.58
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[4-phenyl-1-(2-phenylethyl)piperidin-4-yl]propanamide?
The IUPAC name of N-phenyl-N-[4-phenyl-1-(2-phenylethyl)piperidin-4-yl]propanamide (CID 10319503) is N-phenyl-N-[4-phenyl-1-(2-phenylethyl)piperidin-4-yl]propanamide.
What is the SMILES notation for N-phenyl-N-[4-phenyl-1-(2-phenylethyl)piperidin-4-yl]propanamide?
The canonical SMILES for N-phenyl-N-[4-phenyl-1-(2-phenylethyl)piperidin-4-yl]propanamide is CCC(=O)N(c1ccccc1)C1(c2ccccc2)CCN(CCc2ccccc2)CC1.
What is the InChIKey of N-phenyl-N-[4-phenyl-1-(2-phenylethyl)piperidin-4-yl]propanamide?
The InChIKey is BXCJXJLHYMWMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O/c1-2-27(31)30(26-16-10-5-11-17-26)28(25-14-8-4-9-15-25)19-22-29(23-20-28)21-18-24-12-6-3-7-13-24/h3-17H,2,18-23H2,1H3.
What are the key properties of N-phenyl-N-[4-phenyl-1-(2-phenylethyl)piperidin-4-yl]propanamide?
N-phenyl-N-[4-phenyl-1-(2-phenylethyl)piperidin-4-yl]propanamide has a molecular weight of 412.58 g/mol, XLogP of 5.66, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[4-phenyl-1-(2-phenylethyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 10319503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).