(2R)-N-(3-chloro-4-methoxyphenyl)-2-phenyl-2-(4-phenylpiperazin-1-yl)acetamide

C25H26ClN3O2 — CID 2549166

IUPAC(2R)-N-(3-chloro-4-methoxyphenyl)-2-phenyl-2-(4-phenylpiperazin-1-yl)acetamide
SMILESCOc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCN(c3ccccc3)CC2)cc1Cl
InChIInChI=1S/C25H26ClN3O2/c1-31-23-13-12-20(18-22(23)26)27-25(30)24(19-8-4-2-5-9-19)29-16-14-28(15-17-29)21-10-6-3-7-11-21/h2-13,18,24H,14-17H2,1H3,(H,27,30)/t24-/m1/s1
InChIKeyRQMRJSFVRKQMEB-XMMPIXPASA-N
MW435.96 g/mol
LogP4.85
Rot. Bonds6

About (2R)-N-(3-chloro-4-methoxyphenyl)-2-phenyl-2-(4-phenylpiperazin-1-yl)acetamide

(2R)-N-(3-chloro-4-methoxyphenyl)-2-phenyl-2-(4-phenylpiperazin-1-yl)acetamide (PubChem CID 2549166) has the molecular formula C25H26ClN3O2 and a molecular weight of 435.96 g/mol. Its IUPAC name is (2R)-N-(3-chloro-4-methoxyphenyl)-2-phenyl-2-(4-phenylpiperazin-1-yl)acetamide.

Molecular Properties

Compound Name(2R)-N-(3-chloro-4-methoxyphenyl)-2-phenyl-2-(4-phenylpiperazin-1-yl)acetamide
PubChem CID2549166
Molecular FormulaC25H26ClN3O2
Molecular Weight435.96 g/mol
Exact Mass435.17
IUPAC Name(2R)-N-(3-chloro-4-methoxyphenyl)-2-phenyl-2-(4-phenylpiperazin-1-yl)acetamide
SMILESCOc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCN(c3ccccc3)CC2)cc1Cl
InChIInChI=1S/C25H26ClN3O2/c1-31-23-13-12-20(18-22(23)26)27-25(30)24(19-8-4-2-5-9-19)29-16-14-28(15-17-29)21-10-6-3-7-11-21/h2-13,18,24H,14-17H2,1H3,(H,27,30)/t24-/m1/s1
InChIKeyRQMRJSFVRKQMEB-XMMPIXPASA-N
XLogP4.85
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.96
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(3-chloro-4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-2-phenylacetamide
CID 8896689
(2S)-N-(3-chloro-4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-2-phenylacetamide
CID 8896685
(2S)-N-(3-chloro-4-methoxyphenyl)-2-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]-2-phenylacetamide
CID 30621176
N-(3-chloro-4-methoxyphenyl)-2-phenyl-2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetamide
CID 78899528
(2S)-N-(3-chloro-4-methoxyphenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-phenylacetamide
CID 2448741
(2R)-N-(3-chloro-4-methoxyphenyl)-2-phenyl-2-(4-phenylpiperazin-1-ium-1-yl)acetamide
CID 2549165
N-(3-chloro-4-methoxyphenyl)-2-phenyl-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
CID 55470928
(2S)-N-(3-chloro-4-methoxyphenyl)-2-[(3S)-3-methylpiperidin-1-yl]-2-phenylacetamide
CID 6598333
(2R)-N-(3-chloro-4-methoxyphenyl)-2-[(3S)-3-methylpiperidin-1-yl]-2-phenylacetamide
CID 2419129
N-(3-chloro-4-methoxyphenyl)-2-(3-oxopiperazin-1-yl)-2-phenylacetamide
CID 42912246
(2S)-N-(3-chloro-4-methoxyphenyl)-2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]-2-phenylacetamide
CID 27248358
tert-butyl N-[1-[2-(3-chloro-4-methoxyanilino)-2-oxo-1-phenylethyl]piperidin-4-yl]carbamate
CID 55736741

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-chloro-4-methoxyphenyl)-2-phenyl-2-(4-phenylpiperazin-1-yl)acetamide?
The IUPAC name of (2R)-N-(3-chloro-4-methoxyphenyl)-2-phenyl-2-(4-phenylpiperazin-1-yl)acetamide (CID 2549166) is (2R)-N-(3-chloro-4-methoxyphenyl)-2-phenyl-2-(4-phenylpiperazin-1-yl)acetamide.
What is the SMILES notation for (2R)-N-(3-chloro-4-methoxyphenyl)-2-phenyl-2-(4-phenylpiperazin-1-yl)acetamide?
The canonical SMILES for (2R)-N-(3-chloro-4-methoxyphenyl)-2-phenyl-2-(4-phenylpiperazin-1-yl)acetamide is COc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCN(c3ccccc3)CC2)cc1Cl.
What is the InChIKey of (2R)-N-(3-chloro-4-methoxyphenyl)-2-phenyl-2-(4-phenylpiperazin-1-yl)acetamide?
The InChIKey is RQMRJSFVRKQMEB-XMMPIXPASA-N. The full InChI is InChI=1S/C25H26ClN3O2/c1-31-23-13-12-20(18-22(23)26)27-25(30)24(19-8-4-2-5-9-19)29-16-14-28(15-17-29)21-10-6-3-7-11-21/h2-13,18,24H,14-17H2,1H3,(H,27,30)/t24-/m1/s1.
What are the key properties of (2R)-N-(3-chloro-4-methoxyphenyl)-2-phenyl-2-(4-phenylpiperazin-1-yl)acetamide?
(2R)-N-(3-chloro-4-methoxyphenyl)-2-phenyl-2-(4-phenylpiperazin-1-yl)acetamide has a molecular weight of 435.96 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-chloro-4-methoxyphenyl)-2-phenyl-2-(4-phenylpiperazin-1-yl)acetamide is sourced from PubChem (CID 2549166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).