N-(4-ethylphenyl)-N-[1-[(3-hydroxy-4-methoxyphenyl)methyl]piperidin-4-yl]-2-methylpropanamide

C25H34N2O3 — CID 42858416

IUPACN-(4-ethylphenyl)-N-[1-[(3-hydroxy-4-methoxyphenyl)methyl]piperidin-4-yl]-2-methylpropanamide
SMILESCCc1ccc(N(C(=O)C(C)C)C2CCN(Cc3ccc(OC)c(O)c3)CC2)cc1
InChIInChI=1S/C25H34N2O3/c1-5-19-6-9-21(10-7-19)27(25(29)18(2)3)22-12-14-26(15-13-22)17-20-8-11-24(30-4)23(28)16-20/h6-11,16,18,22,28H,5,12-15,17H2,1-4H3
InChIKeyDHKWSIJHPLGLIX-UHFFFAOYSA-N
MW410.56 g/mol
LogP4.62
Rot. Bonds7

About N-(4-ethylphenyl)-N-[1-[(3-hydroxy-4-methoxyphenyl)methyl]piperidin-4-yl]-2-methylpropanamide

N-(4-ethylphenyl)-N-[1-[(3-hydroxy-4-methoxyphenyl)methyl]piperidin-4-yl]-2-methylpropanamide (PubChem CID 42858416) has the molecular formula C25H34N2O3 and a molecular weight of 410.56 g/mol. Its IUPAC name is N-(4-ethylphenyl)-N-[1-[(3-hydroxy-4-methoxyphenyl)methyl]piperidin-4-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-N-[1-[(3-hydroxy-4-methoxyphenyl)methyl]piperidin-4-yl]-2-methylpropanamide
PubChem CID42858416
Molecular FormulaC25H34N2O3
Molecular Weight410.56 g/mol
Exact Mass410.26
IUPAC NameN-(4-ethylphenyl)-N-[1-[(3-hydroxy-4-methoxyphenyl)methyl]piperidin-4-yl]-2-methylpropanamide
SMILESCCc1ccc(N(C(=O)C(C)C)C2CCN(Cc3ccc(OC)c(O)c3)CC2)cc1
InChIInChI=1S/C25H34N2O3/c1-5-19-6-9-21(10-7-19)27(25(29)18(2)3)22-12-14-26(15-13-22)17-20-8-11-24(30-4)23(28)16-20/h6-11,16,18,22,28H,5,12-15,17H2,1-4H3
InChIKeyDHKWSIJHPLGLIX-UHFFFAOYSA-N
XLogP4.62
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-2-methylpropanamide
CID 42853264
N-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(4-ethylphenyl)acetamide
CID 46054716
N-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)-2-methylpropanamide
CID 46054319
N-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-N-(4-methylphenyl)butanamide
CID 46054921
N-(3,4-dimethoxyphenyl)-N-[1-(furan-2-ylmethyl)piperidin-4-yl]-2-methylpropanamide
CID 42858172
N-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]-N-(4-ethylphenyl)propanamide
CID 46054953
N-(4-ethylphenyl)-2-methyl-N-[1-[(2-nitrophenyl)methyl]piperidin-4-yl]propanamide
CID 46052039
N-(4-ethylphenyl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]benzamide
CID 46052058
N-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(3-fluoro-4-methylphenyl)-2-methylpropanamide
CID 42853448
N-(4-ethylphenyl)-N-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]butanamide
CID 46054963
2-methoxy-5-[(4-propylpiperazin-1-yl)methyl]phenol
CID 115280838
N-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]-N-(4-methoxyphenyl)-3-methylbutanamide
CID 42858323

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-N-[1-[(3-hydroxy-4-methoxyphenyl)methyl]piperidin-4-yl]-2-methylpropanamide?
The IUPAC name of N-(4-ethylphenyl)-N-[1-[(3-hydroxy-4-methoxyphenyl)methyl]piperidin-4-yl]-2-methylpropanamide (CID 42858416) is N-(4-ethylphenyl)-N-[1-[(3-hydroxy-4-methoxyphenyl)methyl]piperidin-4-yl]-2-methylpropanamide.
What is the SMILES notation for N-(4-ethylphenyl)-N-[1-[(3-hydroxy-4-methoxyphenyl)methyl]piperidin-4-yl]-2-methylpropanamide?
The canonical SMILES for N-(4-ethylphenyl)-N-[1-[(3-hydroxy-4-methoxyphenyl)methyl]piperidin-4-yl]-2-methylpropanamide is CCc1ccc(N(C(=O)C(C)C)C2CCN(Cc3ccc(OC)c(O)c3)CC2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-N-[1-[(3-hydroxy-4-methoxyphenyl)methyl]piperidin-4-yl]-2-methylpropanamide?
The InChIKey is DHKWSIJHPLGLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O3/c1-5-19-6-9-21(10-7-19)27(25(29)18(2)3)22-12-14-26(15-13-22)17-20-8-11-24(30-4)23(28)16-20/h6-11,16,18,22,28H,5,12-15,17H2,1-4H3.
What are the key properties of N-(4-ethylphenyl)-N-[1-[(3-hydroxy-4-methoxyphenyl)methyl]piperidin-4-yl]-2-methylpropanamide?
N-(4-ethylphenyl)-N-[1-[(3-hydroxy-4-methoxyphenyl)methyl]piperidin-4-yl]-2-methylpropanamide has a molecular weight of 410.56 g/mol, XLogP of 4.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-N-[1-[(3-hydroxy-4-methoxyphenyl)methyl]piperidin-4-yl]-2-methylpropanamide is sourced from PubChem (CID 42858416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).