(2S)-2-(4-acetylpiperazin-1-ium-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)propanamide

C19H30N3O2+ — CID 9276131

IUPAC(2S)-2-(4-acetylpiperazin-1-ium-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)propanamide
SMILESCC(=O)N1CC[NH+]([C@@H](C)C(=O)Nc2c(C)cccc2C(C)C)CC1
InChIInChI=1S/C19H29N3O2/c1-13(2)17-8-6-7-14(3)18(17)20-19(24)15(4)21-9-11-22(12-10-21)16(5)23/h6-8,13,15H,9-12H2,1-5H3,(H,20,24)/p+1/t15-/m0/s1
InChIKeyVVEUYTLDMBGCNM-HNNXBMFYSA-O
MW332.47 g/mol
LogP1.19
Rot. Bonds4

About (2S)-2-(4-acetylpiperazin-1-ium-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)propanamide

(2S)-2-(4-acetylpiperazin-1-ium-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)propanamide (PubChem CID 9276131) has the molecular formula C19H30N3O2+ and a molecular weight of 332.47 g/mol. Its IUPAC name is (2S)-2-(4-acetylpiperazin-1-ium-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(4-acetylpiperazin-1-ium-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)propanamide
PubChem CID9276131
Molecular FormulaC19H30N3O2+
Molecular Weight332.47 g/mol
Exact Mass332.23
IUPAC Name(2S)-2-(4-acetylpiperazin-1-ium-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)propanamide
SMILESCC(=O)N1CC[NH+]([C@@H](C)C(=O)Nc2c(C)cccc2C(C)C)CC1
InChIInChI=1S/C19H29N3O2/c1-13(2)17-8-6-7-14(3)18(17)20-19(24)15(4)21-9-11-22(12-10-21)16(5)23/h6-8,13,15H,9-12H2,1-5H3,(H,20,24)/p+1/t15-/m0/s1
InChIKeyVVEUYTLDMBGCNM-HNNXBMFYSA-O
XLogP1.19
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2R)-1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl]piperidin-1-ium-4-carboxamide
CID 9442937
2-(4-acetylpiperazin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 8904334
N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 729062
(2S)-N-(2,6-dimethylphenyl)-2-morpholin-4-ium-4-ylpropanamide
CID 9275992
2-chloro-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 3859248
(2R)-2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)propanamide
CID 9445040
(2S)-N-(3-acetylphenyl)-2-(4-acetylpiperazin-1-ium-1-yl)propanamide
CID 8904387
1-(4-acetylpiperazin-1-yl)-3-(2-methyl-6-propan-2-ylanilino)propan-1-one
CID 109018185
(2R)-N-(2,6-dimethylphenyl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]propanamide
CID 9430413
(2R)-N-(2,6-dimethylphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propanamide
CID 9249376
(2R)-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 9126968
3-chloro-2-methyl-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 62727710

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-acetylpiperazin-1-ium-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)propanamide?
The IUPAC name of (2S)-2-(4-acetylpiperazin-1-ium-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)propanamide (CID 9276131) is (2S)-2-(4-acetylpiperazin-1-ium-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)propanamide.
What is the SMILES notation for (2S)-2-(4-acetylpiperazin-1-ium-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)propanamide?
The canonical SMILES for (2S)-2-(4-acetylpiperazin-1-ium-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)propanamide is CC(=O)N1CC[NH+]([C@@H](C)C(=O)Nc2c(C)cccc2C(C)C)CC1.
What is the InChIKey of (2S)-2-(4-acetylpiperazin-1-ium-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)propanamide?
The InChIKey is VVEUYTLDMBGCNM-HNNXBMFYSA-O. The full InChI is InChI=1S/C19H29N3O2/c1-13(2)17-8-6-7-14(3)18(17)20-19(24)15(4)21-9-11-22(12-10-21)16(5)23/h6-8,13,15H,9-12H2,1-5H3,(H,20,24)/p+1/t15-/m0/s1.
What are the key properties of (2S)-2-(4-acetylpiperazin-1-ium-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)propanamide?
(2S)-2-(4-acetylpiperazin-1-ium-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)propanamide has a molecular weight of 332.47 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-acetylpiperazin-1-ium-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 9276131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).