N-[[2-[(1-acetylpiperidin-4-yl)amino]phenyl]methyl]-N-[2-(4-hydroxyphenoxy)phenyl]acetamide

C28H31N3O4 — CID 143808579

IUPACN-[[2-[(1-acetylpiperidin-4-yl)amino]phenyl]methyl]-N-[2-(4-hydroxyphenoxy)phenyl]acetamide
SMILESCC(=O)N1CCC(Nc2ccccc2CN(C(C)=O)c2ccccc2Oc2ccc(O)cc2)CC1
InChIInChI=1S/C28H31N3O4/c1-20(32)30-17-15-23(16-18-30)29-26-8-4-3-7-22(26)19-31(21(2)33)27-9-5-6-10-28(27)35-25-13-11-24(34)12-14-25/h3-14,23,29,34H,15-19H2,1-2H3
InChIKeyONFPOTJDGZBFTN-UHFFFAOYSA-N
MW473.57 g/mol
LogP5.16
Rot. Bonds7

About N-[[2-[(1-acetylpiperidin-4-yl)amino]phenyl]methyl]-N-[2-(4-hydroxyphenoxy)phenyl]acetamide

N-[[2-[(1-acetylpiperidin-4-yl)amino]phenyl]methyl]-N-[2-(4-hydroxyphenoxy)phenyl]acetamide (PubChem CID 143808579) has the molecular formula C28H31N3O4 and a molecular weight of 473.57 g/mol. Its IUPAC name is N-[[2-[(1-acetylpiperidin-4-yl)amino]phenyl]methyl]-N-[2-(4-hydroxyphenoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-[[2-[(1-acetylpiperidin-4-yl)amino]phenyl]methyl]-N-[2-(4-hydroxyphenoxy)phenyl]acetamide
PubChem CID143808579
Molecular FormulaC28H31N3O4
Molecular Weight473.57 g/mol
Exact Mass473.23
IUPAC NameN-[[2-[(1-acetylpiperidin-4-yl)amino]phenyl]methyl]-N-[2-(4-hydroxyphenoxy)phenyl]acetamide
SMILESCC(=O)N1CCC(Nc2ccccc2CN(C(C)=O)c2ccccc2Oc2ccc(O)cc2)CC1
InChIInChI=1S/C28H31N3O4/c1-20(32)30-17-15-23(16-18-30)29-26-8-4-3-7-22(26)19-31(21(2)33)27-9-5-6-10-28(27)35-25-13-11-24(34)12-14-25/h3-14,23,29,34H,15-19H2,1-2H3
InChIKeyONFPOTJDGZBFTN-UHFFFAOYSA-N
XLogP5.16
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.57
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-phenoxyphenyl)-N-[(2-pyrrolidin-1-ylphenyl)methyl]acetamide
CID 18407202
N-methyl-N-[[2-[(1-methylpiperidin-4-yl)amino]phenyl]methyl]acetamide
CID 43692067
(111C)methyl 2-[(N-acetyl-2-phenoxyanilino)methyl]benzoate
CID 11624963
N-[(2,3-dimethoxyphenyl)methyl]-N-(2-phenoxyphenyl)acetamide
CID 71198512
N-[[2-(cycloheptylamino)phenyl]methyl]-N-methylacetamide
CID 43692065
N-[[2-[(4-hydroxycyclohexyl)amino]phenyl]methyl]-N-methylacetamide
CID 106593826
N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-N-(2-phenoxyphenyl)acetamide
CID 113133616
4-[2-(2-amino-2-oxoethyl)anilino]piperidine-1-carboxamide
CID 43789647
2-(N-acetyl-2-phenoxyanilino)-N-cycloheptylacetamide
CID 113179225
1-[4-[2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]anilino]piperidin-1-yl]ethanone
CID 97332541
1-[4-[2-[(2,6-dimethylmorpholin-4-yl)methyl]anilino]piperidin-1-yl]ethanone
CID 75471111
N-[2-[(dimethylamino)methyl]phenyl]-1-methylazepan-4-amine
CID 65070089

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(1-acetylpiperidin-4-yl)amino]phenyl]methyl]-N-[2-(4-hydroxyphenoxy)phenyl]acetamide?
The IUPAC name of N-[[2-[(1-acetylpiperidin-4-yl)amino]phenyl]methyl]-N-[2-(4-hydroxyphenoxy)phenyl]acetamide (CID 143808579) is N-[[2-[(1-acetylpiperidin-4-yl)amino]phenyl]methyl]-N-[2-(4-hydroxyphenoxy)phenyl]acetamide.
What is the SMILES notation for N-[[2-[(1-acetylpiperidin-4-yl)amino]phenyl]methyl]-N-[2-(4-hydroxyphenoxy)phenyl]acetamide?
The canonical SMILES for N-[[2-[(1-acetylpiperidin-4-yl)amino]phenyl]methyl]-N-[2-(4-hydroxyphenoxy)phenyl]acetamide is CC(=O)N1CCC(Nc2ccccc2CN(C(C)=O)c2ccccc2Oc2ccc(O)cc2)CC1.
What is the InChIKey of N-[[2-[(1-acetylpiperidin-4-yl)amino]phenyl]methyl]-N-[2-(4-hydroxyphenoxy)phenyl]acetamide?
The InChIKey is ONFPOTJDGZBFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O4/c1-20(32)30-17-15-23(16-18-30)29-26-8-4-3-7-22(26)19-31(21(2)33)27-9-5-6-10-28(27)35-25-13-11-24(34)12-14-25/h3-14,23,29,34H,15-19H2,1-2H3.
What are the key properties of N-[[2-[(1-acetylpiperidin-4-yl)amino]phenyl]methyl]-N-[2-(4-hydroxyphenoxy)phenyl]acetamide?
N-[[2-[(1-acetylpiperidin-4-yl)amino]phenyl]methyl]-N-[2-(4-hydroxyphenoxy)phenyl]acetamide has a molecular weight of 473.57 g/mol, XLogP of 5.16, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(1-acetylpiperidin-4-yl)amino]phenyl]methyl]-N-[2-(4-hydroxyphenoxy)phenyl]acetamide is sourced from PubChem (CID 143808579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).