(2R)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-(2-methylpropyl)propanamide

C18H30N3O2+ — CID 9249294

IUPAC(2R)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-(2-methylpropyl)propanamide
SMILESCOc1ccccc1N1CC[NH+]([C@H](C)C(=O)NCC(C)C)CC1
InChIInChI=1S/C18H29N3O2/c1-14(2)13-19-18(22)15(3)20-9-11-21(12-10-20)16-7-5-6-8-17(16)23-4/h5-8,14-15H,9-13H2,1-4H3,(H,19,22)/p+1/t15-/m1/s1
InChIKeyUKHFIXBVRXVDDD-OAHLLOKOSA-O
MW320.46 g/mol
LogP0.56
Rot. Bonds6

About (2R)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-(2-methylpropyl)propanamide

(2R)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-(2-methylpropyl)propanamide (PubChem CID 9249294) has the molecular formula C18H30N3O2+ and a molecular weight of 320.46 g/mol. Its IUPAC name is (2R)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-(2-methylpropyl)propanamide
PubChem CID9249294
Molecular FormulaC18H30N3O2+
Molecular Weight320.46 g/mol
Exact Mass320.23
IUPAC Name(2R)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-(2-methylpropyl)propanamide
SMILESCOc1ccccc1N1CC[NH+]([C@H](C)C(=O)NCC(C)C)CC1
InChIInChI=1S/C18H29N3O2/c1-14(2)13-19-18(22)15(3)20-9-11-21(12-10-20)16-7-5-6-8-17(16)23-4/h5-8,14-15H,9-13H2,1-4H3,(H,19,22)/p+1/t15-/m1/s1
InChIKeyUKHFIXBVRXVDDD-OAHLLOKOSA-O
XLogP0.56
TPSA46.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[(2-chlorophenyl)methyl]-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propanamide
CID 9249328
(2S)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-[(2-methoxyphenyl)methyl]propanamide
CID 9432728
(2S)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-[(2-methoxyphenyl)methyl]propanamide
CID 9430399
(2R)-N-(2,6-dimethylphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propanamide
CID 9249376
2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-(2-methylpropylcarbamoyl)acetamide
CID 8687005
(2R)-N-(tert-butylcarbamoyl)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propanamide
CID 9249446
(2S)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-(2-phenylphenyl)propanamide
CID 2100076
(2R)-N-benzyl-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-methylpropanamide
CID 8004755
(2R)-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propanamide
CID 9249256
(2S)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-(2,3,4-trifluorophenyl)propanamide
CID 2552521
(2R)-N-(3-fluorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propanamide
CID 9249280
4-(2-methoxyphenyl)-N-(2-methylpropyl)piperazine-1-carbothioamide
CID 19655220

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-(2-methylpropyl)propanamide?
The IUPAC name of (2R)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-(2-methylpropyl)propanamide (CID 9249294) is (2R)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-(2-methylpropyl)propanamide.
What is the SMILES notation for (2R)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-(2-methylpropyl)propanamide?
The canonical SMILES for (2R)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-(2-methylpropyl)propanamide is COc1ccccc1N1CC[NH+]([C@H](C)C(=O)NCC(C)C)CC1.
What is the InChIKey of (2R)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-(2-methylpropyl)propanamide?
The InChIKey is UKHFIXBVRXVDDD-OAHLLOKOSA-O. The full InChI is InChI=1S/C18H29N3O2/c1-14(2)13-19-18(22)15(3)20-9-11-21(12-10-20)16-7-5-6-8-17(16)23-4/h5-8,14-15H,9-13H2,1-4H3,(H,19,22)/p+1/t15-/m1/s1.
What are the key properties of (2R)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-(2-methylpropyl)propanamide?
(2R)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-(2-methylpropyl)propanamide has a molecular weight of 320.46 g/mol, XLogP of 0.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 9249294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).