(2R)-N-cyclopropyl-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-2-phenylacetamide

C21H26N3O2+ — CID 9027647

IUPAC(2R)-N-cyclopropyl-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-2-phenylacetamide
SMILESO=C(NC1CC1)[C@@H](c1ccccc1)[NH+]1CCN(c2ccc(O)cc2)CC1
InChIInChI=1S/C21H25N3O2/c25-19-10-8-18(9-11-19)23-12-14-24(15-13-23)20(16-4-2-1-3-5-16)21(26)22-17-6-7-17/h1-5,8-11,17,20,25H,6-7,12-15H2,(H,22,26)/p+1/t20-/m1/s1
InChIKeyONKIGWPUXBYQMD-HXUWFJFHSA-O
MW352.46 g/mol
LogP1.12
Rot. Bonds5

About (2R)-N-cyclopropyl-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-2-phenylacetamide

(2R)-N-cyclopropyl-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-2-phenylacetamide (PubChem CID 9027647) has the molecular formula C21H26N3O2+ and a molecular weight of 352.46 g/mol. Its IUPAC name is (2R)-N-cyclopropyl-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-N-cyclopropyl-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-2-phenylacetamide
PubChem CID9027647
Molecular FormulaC21H26N3O2+
Molecular Weight352.46 g/mol
Exact Mass352.20
IUPAC Name(2R)-N-cyclopropyl-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-2-phenylacetamide
SMILESO=C(NC1CC1)[C@@H](c1ccccc1)[NH+]1CCN(c2ccc(O)cc2)CC1
InChIInChI=1S/C21H25N3O2/c25-19-10-8-18(9-11-19)23-12-14-24(15-13-23)20(16-4-2-1-3-5-16)21(26)22-17-6-7-17/h1-5,8-11,17,20,25H,6-7,12-15H2,(H,22,26)/p+1/t20-/m1/s1
InChIKeyONKIGWPUXBYQMD-HXUWFJFHSA-O
XLogP1.12
TPSA57.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-cyclopropyl-2-phenyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide
CID 9035564
(2S)-N-cyclopropyl-2-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-phenylacetamide
CID 9027643
(2R)-N-cycloheptyl-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide
CID 9276816
N-(2,6-dimethylphenyl)-2-phenyl-2-(4-phenylpiperazin-1-ium-1-yl)acetamide
CID 4986317
N-[1-(4-hydroxyphenyl)piperidin-4-yl]-2-phenylacetamide
CID 171351771
(2R)-N-cyclopropyl-2-(3-oxopiperazin-1-ium-1-yl)-2-phenylacetamide
CID 9042971
(2S)-2-[4-(4-acetylphenyl)piperazin-1-yl]-N-cyclopropyl-2-phenylacetamide
CID 9029338
N-cyclohexyl-2-(1,4-dioxa-8-azoniaspiro[4.5]decan-8-yl)-2-phenylacetamide
CID 4594936
(2R)-N-(2-acetylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide
CID 9276895
(2R)-N-(3-chloro-4-methoxyphenyl)-2-phenyl-2-(4-phenylpiperazin-1-ium-1-yl)acetamide
CID 2549165
N'-cyclopropyl-N-[(2S)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethyl]oxamide
CID 7162722
(2R)-N-cycloheptyl-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propanamide
CID 9461962

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclopropyl-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-2-phenylacetamide?
The IUPAC name of (2R)-N-cyclopropyl-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-2-phenylacetamide (CID 9027647) is (2R)-N-cyclopropyl-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-2-phenylacetamide.
What is the SMILES notation for (2R)-N-cyclopropyl-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-2-phenylacetamide?
The canonical SMILES for (2R)-N-cyclopropyl-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-2-phenylacetamide is O=C(NC1CC1)[C@@H](c1ccccc1)[NH+]1CCN(c2ccc(O)cc2)CC1.
What is the InChIKey of (2R)-N-cyclopropyl-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-2-phenylacetamide?
The InChIKey is ONKIGWPUXBYQMD-HXUWFJFHSA-O. The full InChI is InChI=1S/C21H25N3O2/c25-19-10-8-18(9-11-19)23-12-14-24(15-13-23)20(16-4-2-1-3-5-16)21(26)22-17-6-7-17/h1-5,8-11,17,20,25H,6-7,12-15H2,(H,22,26)/p+1/t20-/m1/s1.
What are the key properties of (2R)-N-cyclopropyl-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-2-phenylacetamide?
(2R)-N-cyclopropyl-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-2-phenylacetamide has a molecular weight of 352.46 g/mol, XLogP of 1.12, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclopropyl-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-2-phenylacetamide is sourced from PubChem (CID 9027647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).