(2R)-N-(4-acetylphenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)propanamide

C16H25N3O2+2 — CID 8896665

IUPAC(2R)-N-(4-acetylphenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)propanamide
SMILESCC(=O)c1ccc(NC(=O)[C@@H](C)[NH+]2CC[NH+](C)CC2)cc1
InChIInChI=1S/C16H23N3O2/c1-12(19-10-8-18(3)9-11-19)16(21)17-15-6-4-14(5-7-15)13(2)20/h4-7,12H,8-11H2,1-3H3,(H,17,21)/p+2/t12-/m1/s1
InChIKeyGZZOLLMUCNRPCT-GFCCVEGCSA-P
MW291.40 g/mol
LogP-1.37
Rot. Bonds4

About (2R)-N-(4-acetylphenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)propanamide

(2R)-N-(4-acetylphenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)propanamide (PubChem CID 8896665) has the molecular formula C16H25N3O2+2 and a molecular weight of 291.40 g/mol. Its IUPAC name is (2R)-N-(4-acetylphenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-(4-acetylphenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)propanamide
PubChem CID8896665
Molecular FormulaC16H25N3O2+2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name(2R)-N-(4-acetylphenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)propanamide
SMILESCC(=O)c1ccc(NC(=O)[C@@H](C)[NH+]2CC[NH+](C)CC2)cc1
InChIInChI=1S/C16H23N3O2/c1-12(19-10-8-18(3)9-11-19)16(21)17-15-6-4-14(5-7-15)13(2)20/h4-7,12H,8-11H2,1-3H3,(H,17,21)/p+2/t12-/m1/s1
InChIKeyGZZOLLMUCNRPCT-GFCCVEGCSA-P
XLogP-1.37
TPSA55.05 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 5-1.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(4-methylpiperazine-1,4-diium-1-yl)-N-(4-propan-2-ylphenyl)propanamide
CID 8896302
(2R)-N-(4-ethoxyphenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)propanamide
CID 9250047
(2R)-N-(4-acetylphenyl)-2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]propanamide
CID 8004143
(2S)-N-(4-acetylphenyl)-2-[4-[(3-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]propanamide
CID 9258730
(2S)-N-(4-acetylphenyl)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]propanamide
CID 8721092
(2R)-N-phenyl-2-piperidin-1-ium-1-ylpropanamide
CID 7999786
(2S)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(4-methylpiperazine-1,4-diium-1-yl)propanamide
CID 9250051
(2S)-N-(3-acetylphenyl)-2-(4-acetylpiperazin-1-ium-1-yl)propanamide
CID 8904387
(2R)-N-(4-ethoxyphenyl)-2-pyrrolidin-1-ium-1-ylpropanamide
CID 9274915
(2S)-2-(azepan-1-ium-1-yl)-N-(4-piperidin-1-ylphenyl)propanamide
CID 9267789
(2S)-2-(azocan-1-ium-1-yl)-N-(4-ethoxyphenyl)propanamide
CID 9460347
(2R)-N-(4-ethoxyphenyl)-2-piperidin-1-ium-1-ylpropanamide
CID 9249538

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-acetylphenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)propanamide?
The IUPAC name of (2R)-N-(4-acetylphenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)propanamide (CID 8896665) is (2R)-N-(4-acetylphenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)propanamide.
What is the SMILES notation for (2R)-N-(4-acetylphenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)propanamide?
The canonical SMILES for (2R)-N-(4-acetylphenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)propanamide is CC(=O)c1ccc(NC(=O)[C@@H](C)[NH+]2CC[NH+](C)CC2)cc1.
What is the InChIKey of (2R)-N-(4-acetylphenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)propanamide?
The InChIKey is GZZOLLMUCNRPCT-GFCCVEGCSA-P. The full InChI is InChI=1S/C16H23N3O2/c1-12(19-10-8-18(3)9-11-19)16(21)17-15-6-4-14(5-7-15)13(2)20/h4-7,12H,8-11H2,1-3H3,(H,17,21)/p+2/t12-/m1/s1.
What are the key properties of (2R)-N-(4-acetylphenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)propanamide?
(2R)-N-(4-acetylphenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)propanamide has a molecular weight of 291.40 g/mol, XLogP of -1.37, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-acetylphenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)propanamide is sourced from PubChem (CID 8896665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).