N-[1-[2-(2,5-dimethoxyphenyl)ethyl]piperidin-4-yl]-N-phenylpropanamide

C24H32N2O3 — CID 165361586

IUPACN-[1-[2-(2,5-dimethoxyphenyl)ethyl]piperidin-4-yl]-N-phenylpropanamide
SMILESCCC(=O)N(c1ccccc1)C1CCN(CCc2cc(OC)ccc2OC)CC1
InChIInChI=1S/C24H32N2O3/c1-4-24(27)26(20-8-6-5-7-9-20)21-13-16-25(17-14-21)15-12-19-18-22(28-2)10-11-23(19)29-3/h5-11,18,21H,4,12-17H2,1-3H3
InChIKeySAQRGDVCSASPSH-UHFFFAOYSA-N
MW396.53 g/mol
LogP4.15
Rot. Bonds8

About N-[1-[2-(2,5-dimethoxyphenyl)ethyl]piperidin-4-yl]-N-phenylpropanamide

N-[1-[2-(2,5-dimethoxyphenyl)ethyl]piperidin-4-yl]-N-phenylpropanamide (PubChem CID 165361586) has the molecular formula C24H32N2O3 and a molecular weight of 396.53 g/mol. Its IUPAC name is N-[1-[2-(2,5-dimethoxyphenyl)ethyl]piperidin-4-yl]-N-phenylpropanamide.

Molecular Properties

Compound NameN-[1-[2-(2,5-dimethoxyphenyl)ethyl]piperidin-4-yl]-N-phenylpropanamide
PubChem CID165361586
Molecular FormulaC24H32N2O3
Molecular Weight396.53 g/mol
Exact Mass396.24
IUPAC NameN-[1-[2-(2,5-dimethoxyphenyl)ethyl]piperidin-4-yl]-N-phenylpropanamide
SMILESCCC(=O)N(c1ccccc1)C1CCN(CCc2cc(OC)ccc2OC)CC1
InChIInChI=1S/C24H32N2O3/c1-4-24(27)26(20-8-6-5-7-9-20)21-13-16-25(17-14-21)15-12-19-18-22(28-2)10-11-23(19)29-3/h5-11,18,21H,4,12-17H2,1-3H3
InChIKeySAQRGDVCSASPSH-UHFFFAOYSA-N
XLogP4.15
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2,5-dimethoxyphenyl)ethyl]piperidin-4-yl]-N-phenylpropanamide?
The IUPAC name of N-[1-[2-(2,5-dimethoxyphenyl)ethyl]piperidin-4-yl]-N-phenylpropanamide (CID 165361586) is N-[1-[2-(2,5-dimethoxyphenyl)ethyl]piperidin-4-yl]-N-phenylpropanamide.
What is the SMILES notation for N-[1-[2-(2,5-dimethoxyphenyl)ethyl]piperidin-4-yl]-N-phenylpropanamide?
The canonical SMILES for N-[1-[2-(2,5-dimethoxyphenyl)ethyl]piperidin-4-yl]-N-phenylpropanamide is CCC(=O)N(c1ccccc1)C1CCN(CCc2cc(OC)ccc2OC)CC1.
What is the InChIKey of N-[1-[2-(2,5-dimethoxyphenyl)ethyl]piperidin-4-yl]-N-phenylpropanamide?
The InChIKey is SAQRGDVCSASPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O3/c1-4-24(27)26(20-8-6-5-7-9-20)21-13-16-25(17-14-21)15-12-19-18-22(28-2)10-11-23(19)29-3/h5-11,18,21H,4,12-17H2,1-3H3.
What are the key properties of N-[1-[2-(2,5-dimethoxyphenyl)ethyl]piperidin-4-yl]-N-phenylpropanamide?
N-[1-[2-(2,5-dimethoxyphenyl)ethyl]piperidin-4-yl]-N-phenylpropanamide has a molecular weight of 396.53 g/mol, XLogP of 4.15, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2,5-dimethoxyphenyl)ethyl]piperidin-4-yl]-N-phenylpropanamide is sourced from PubChem (CID 165361586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).