(2R)-N-(2-acetylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide

C21H26N3O3+ — CID 9276895

IUPAC(2R)-N-(2-acetylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide
SMILESCC(=O)c1ccccc1NC(=O)[C@@H](C)[NH+]1CCN(c2ccc(O)cc2)CC1
InChIInChI=1S/C21H25N3O3/c1-15(21(27)22-20-6-4-3-5-19(20)16(2)25)23-11-13-24(14-12-23)17-7-9-18(26)10-8-17/h3-10,15,26H,11-14H2,1-2H3,(H,22,27)/p+1/t15-/m1/s1
InChIKeyWZPMPMZUCJZASS-OAHLLOKOSA-O
MW368.46 g/mol
LogP1.33
Rot. Bonds5

About (2R)-N-(2-acetylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide

(2R)-N-(2-acetylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide (PubChem CID 9276895) has the molecular formula C21H26N3O3+ and a molecular weight of 368.46 g/mol. Its IUPAC name is (2R)-N-(2-acetylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-(2-acetylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide
PubChem CID9276895
Molecular FormulaC21H26N3O3+
Molecular Weight368.46 g/mol
Exact Mass368.20
IUPAC Name(2R)-N-(2-acetylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide
SMILESCC(=O)c1ccccc1NC(=O)[C@@H](C)[NH+]1CCN(c2ccc(O)cc2)CC1
InChIInChI=1S/C21H25N3O3/c1-15(21(27)22-20-6-4-3-5-19(20)16(2)25)23-11-13-24(14-12-23)17-7-9-18(26)10-8-17/h3-10,15,26H,11-14H2,1-2H3,(H,22,27)/p+1/t15-/m1/s1
InChIKeyWZPMPMZUCJZASS-OAHLLOKOSA-O
XLogP1.33
TPSA74.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(2-acetylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
CID 9276896
(2R)-N-(5-chloro-2-methylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide
CID 9276854
1-[(2R)-1-(2-acetylanilino)-1-oxopropan-2-yl]piperidin-1-ium-4-carboxamide
CID 9443708
(2S)-N-(2-acetylphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanamide
CID 9248442
(2R)-N-(2-chloro-5-nitrophenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide
CID 2518469
(2R)-N-cycloheptyl-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide
CID 9276816
(2S)-2-(4-phenylpiperazin-1-ium-1-yl)-N-(2,3,4-trifluorophenyl)propanamide
CID 2653989
(2S)-2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(2,3,4-trifluorophenyl)propanamide
CID 2442918
(2S)-N-(2-bromo-4-methylphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)propanamide
CID 9250247
(2S)-2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(2,4-dichlorophenyl)propanamide
CID 2483461
(2S)-N-(2-ethoxyphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propanamide
CID 9461943
(2R)-N-(4-methoxyphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)propanamide
CID 9250159

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-acetylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide?
The IUPAC name of (2R)-N-(2-acetylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide (CID 9276895) is (2R)-N-(2-acetylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide.
What is the SMILES notation for (2R)-N-(2-acetylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide?
The canonical SMILES for (2R)-N-(2-acetylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide is CC(=O)c1ccccc1NC(=O)[C@@H](C)[NH+]1CCN(c2ccc(O)cc2)CC1.
What is the InChIKey of (2R)-N-(2-acetylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide?
The InChIKey is WZPMPMZUCJZASS-OAHLLOKOSA-O. The full InChI is InChI=1S/C21H25N3O3/c1-15(21(27)22-20-6-4-3-5-19(20)16(2)25)23-11-13-24(14-12-23)17-7-9-18(26)10-8-17/h3-10,15,26H,11-14H2,1-2H3,(H,22,27)/p+1/t15-/m1/s1.
What are the key properties of (2R)-N-(2-acetylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide?
(2R)-N-(2-acetylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide has a molecular weight of 368.46 g/mol, XLogP of 1.33, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-acetylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide is sourced from PubChem (CID 9276895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).