N-(4-methoxyphenyl)-N-[2-[4-[(4-methylphenyl)methyl]piperidin-1-yl]ethyl]propanamide

C25H34N2O2 — CID 162668406

IUPACN-(4-methoxyphenyl)-N-[2-[4-[(4-methylphenyl)methyl]piperidin-1-yl]ethyl]propanamide
SMILESCCC(=O)N(CCN1CCC(Cc2ccc(C)cc2)CC1)c1ccc(OC)cc1
InChIInChI=1S/C25H34N2O2/c1-4-25(28)27(23-9-11-24(29-3)12-10-23)18-17-26-15-13-22(14-16-26)19-21-7-5-20(2)6-8-21/h5-12,22H,4,13-19H2,1-3H3
InChIKeyZIPKXVUJNLWDTA-UHFFFAOYSA-N
MW394.56 g/mol
LogP4.70
Rot. Bonds8

About N-(4-methoxyphenyl)-N-[2-[4-[(4-methylphenyl)methyl]piperidin-1-yl]ethyl]propanamide

N-(4-methoxyphenyl)-N-[2-[4-[(4-methylphenyl)methyl]piperidin-1-yl]ethyl]propanamide (PubChem CID 162668406) has the molecular formula C25H34N2O2 and a molecular weight of 394.56 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-N-[2-[4-[(4-methylphenyl)methyl]piperidin-1-yl]ethyl]propanamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-N-[2-[4-[(4-methylphenyl)methyl]piperidin-1-yl]ethyl]propanamide
PubChem CID162668406
Molecular FormulaC25H34N2O2
Molecular Weight394.56 g/mol
Exact Mass394.26
IUPAC NameN-(4-methoxyphenyl)-N-[2-[4-[(4-methylphenyl)methyl]piperidin-1-yl]ethyl]propanamide
SMILESCCC(=O)N(CCN1CCC(Cc2ccc(C)cc2)CC1)c1ccc(OC)cc1
InChIInChI=1S/C25H34N2O2/c1-4-25(28)27(23-9-11-24(29-3)12-10-23)18-17-26-15-13-22(14-16-26)19-21-7-5-20(2)6-8-21/h5-12,22H,4,13-19H2,1-3H3
InChIKeyZIPKXVUJNLWDTA-UHFFFAOYSA-N
XLogP4.70
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.56
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-N-[2-[4-[(4-methylphenyl)methyl]piperidin-1-yl]ethyl]propanamide?
The IUPAC name of N-(4-methoxyphenyl)-N-[2-[4-[(4-methylphenyl)methyl]piperidin-1-yl]ethyl]propanamide (CID 162668406) is N-(4-methoxyphenyl)-N-[2-[4-[(4-methylphenyl)methyl]piperidin-1-yl]ethyl]propanamide.
What is the SMILES notation for N-(4-methoxyphenyl)-N-[2-[4-[(4-methylphenyl)methyl]piperidin-1-yl]ethyl]propanamide?
The canonical SMILES for N-(4-methoxyphenyl)-N-[2-[4-[(4-methylphenyl)methyl]piperidin-1-yl]ethyl]propanamide is CCC(=O)N(CCN1CCC(Cc2ccc(C)cc2)CC1)c1ccc(OC)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-N-[2-[4-[(4-methylphenyl)methyl]piperidin-1-yl]ethyl]propanamide?
The InChIKey is ZIPKXVUJNLWDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O2/c1-4-25(28)27(23-9-11-24(29-3)12-10-23)18-17-26-15-13-22(14-16-26)19-21-7-5-20(2)6-8-21/h5-12,22H,4,13-19H2,1-3H3.
What are the key properties of N-(4-methoxyphenyl)-N-[2-[4-[(4-methylphenyl)methyl]piperidin-1-yl]ethyl]propanamide?
N-(4-methoxyphenyl)-N-[2-[4-[(4-methylphenyl)methyl]piperidin-1-yl]ethyl]propanamide has a molecular weight of 394.56 g/mol, XLogP of 4.70, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-N-[2-[4-[(4-methylphenyl)methyl]piperidin-1-yl]ethyl]propanamide is sourced from PubChem (CID 162668406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).