(2R)-2-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-N-(3-methoxyphenyl)-2-phenylacetamide

C26H29N3O3 — CID 95785630

IUPAC(2R)-2-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-N-(3-methoxyphenyl)-2-phenylacetamide
SMILESCOc1cccc(NC(=O)[C@@H](c2ccccc2)N2CCN(Cc3cccc(O)c3)CC2)c1
InChIInChI=1S/C26H29N3O3/c1-32-24-12-6-10-22(18-24)27-26(31)25(21-8-3-2-4-9-21)29-15-13-28(14-16-29)19-20-7-5-11-23(30)17-20/h2-12,17-18,25,30H,13-16,19H2,1H3,(H,27,31)/t25-/m1/s1
InChIKeyWOSYZTDUGFOOIN-RUZDIDTESA-N
MW431.54 g/mol
LogP3.90
Rot. Bonds7

About (2R)-2-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-N-(3-methoxyphenyl)-2-phenylacetamide

(2R)-2-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-N-(3-methoxyphenyl)-2-phenylacetamide (PubChem CID 95785630) has the molecular formula C26H29N3O3 and a molecular weight of 431.54 g/mol. Its IUPAC name is (2R)-2-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-N-(3-methoxyphenyl)-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-N-(3-methoxyphenyl)-2-phenylacetamide
PubChem CID95785630
Molecular FormulaC26H29N3O3
Molecular Weight431.54 g/mol
Exact Mass431.22
IUPAC Name(2R)-2-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-N-(3-methoxyphenyl)-2-phenylacetamide
SMILESCOc1cccc(NC(=O)[C@@H](c2ccccc2)N2CCN(Cc3cccc(O)c3)CC2)c1
InChIInChI=1S/C26H29N3O3/c1-32-24-12-6-10-22(18-24)27-26(31)25(21-8-3-2-4-9-21)29-15-13-28(14-16-29)19-20-7-5-11-23(30)17-20/h2-12,17-18,25,30H,13-16,19H2,1H3,(H,27,31)/t25-/m1/s1
InChIKeyWOSYZTDUGFOOIN-RUZDIDTESA-N
XLogP3.90
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3-methoxyphenyl)-2-phenylacetamide
CID 4796543
1-[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl]-N-phenylpiperidine-4-carboxamide
CID 41183176
N-(3-methoxyphenyl)-2-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 4880356
4-benzyl-N-[(2S)-1-(3-methoxyanilino)-1-oxopropan-2-yl]piperazine-1-carboxamide
CID 71829739
4-[(4-benzylpiperazin-1-yl)methyl]-N-(3-methoxyphenyl)benzamide
CID 1362665
N-(4-fluorophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-phenylacetamide
CID 46561400
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(3-methoxyphenyl)-2-phenylacetamide
CID 17490845
N-(3-methoxyphenyl)-2-phenyl-2-(4-pyridazin-3-yl-1,4-diazepan-1-yl)acetamide
CID 86894407
(2S)-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-(3-methoxyphenyl)propanamide
CID 9268335
1-[(3-methoxyphenyl)methyl]-4-propan-2-ylpiperazine;oxalic acid
CID 17366637
(2R)-N-(3-methoxyphenyl)-2-phenyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
CID 31377197
N-[3-(morpholin-4-ylmethyl)phenyl]-2-phenoxy-2-phenylacetamide
CID 47776428

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-N-(3-methoxyphenyl)-2-phenylacetamide?
The IUPAC name of (2R)-2-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-N-(3-methoxyphenyl)-2-phenylacetamide (CID 95785630) is (2R)-2-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-N-(3-methoxyphenyl)-2-phenylacetamide.
What is the SMILES notation for (2R)-2-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-N-(3-methoxyphenyl)-2-phenylacetamide?
The canonical SMILES for (2R)-2-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-N-(3-methoxyphenyl)-2-phenylacetamide is COc1cccc(NC(=O)[C@@H](c2ccccc2)N2CCN(Cc3cccc(O)c3)CC2)c1.
What is the InChIKey of (2R)-2-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-N-(3-methoxyphenyl)-2-phenylacetamide?
The InChIKey is WOSYZTDUGFOOIN-RUZDIDTESA-N. The full InChI is InChI=1S/C26H29N3O3/c1-32-24-12-6-10-22(18-24)27-26(31)25(21-8-3-2-4-9-21)29-15-13-28(14-16-29)19-20-7-5-11-23(30)17-20/h2-12,17-18,25,30H,13-16,19H2,1H3,(H,27,31)/t25-/m1/s1.
What are the key properties of (2R)-2-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-N-(3-methoxyphenyl)-2-phenylacetamide?
(2R)-2-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-N-(3-methoxyphenyl)-2-phenylacetamide has a molecular weight of 431.54 g/mol, XLogP of 3.90, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-N-(3-methoxyphenyl)-2-phenylacetamide is sourced from PubChem (CID 95785630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).