(2R)-N-benzyl-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-methylpropanamide

C22H30N3O2+ — CID 8004755

IUPAC(2R)-N-benzyl-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-methylpropanamide
SMILESCOc1ccccc1N1CC[NH+]([C@H](C)C(=O)N(C)Cc2ccccc2)CC1
InChIInChI=1S/C22H29N3O2/c1-18(22(26)23(2)17-19-9-5-4-6-10-19)24-13-15-25(16-14-24)20-11-7-8-12-21(20)27-3/h4-12,18H,13-17H2,1-3H3/p+1/t18-/m1/s1
InChIKeyHJWFPZQCXVYUGJ-GOSISDBHSA-O
MW368.50 g/mol
LogP1.45
Rot. Bonds6

About (2R)-N-benzyl-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-methylpropanamide

(2R)-N-benzyl-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-methylpropanamide (PubChem CID 8004755) has the molecular formula C22H30N3O2+ and a molecular weight of 368.50 g/mol. Its IUPAC name is (2R)-N-benzyl-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-methylpropanamide.

Molecular Properties

Compound Name(2R)-N-benzyl-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-methylpropanamide
PubChem CID8004755
Molecular FormulaC22H30N3O2+
Molecular Weight368.50 g/mol
Exact Mass368.23
IUPAC Name(2R)-N-benzyl-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-methylpropanamide
SMILESCOc1ccccc1N1CC[NH+]([C@H](C)C(=O)N(C)Cc2ccccc2)CC1
InChIInChI=1S/C22H29N3O2/c1-18(22(26)23(2)17-19-9-5-4-6-10-19)24-13-15-25(16-14-24)20-11-7-8-12-21(20)27-3/h4-12,18H,13-17H2,1-3H3/p+1/t18-/m1/s1
InChIKeyHJWFPZQCXVYUGJ-GOSISDBHSA-O
XLogP1.45
TPSA37.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-benzyl-N-methyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide
CID 9406147
(2R)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-(2-methylpropyl)propanamide
CID 9249294
(2S)-1-(4-benzylpiperidin-1-yl)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propan-1-one
CID 9249428
(2R)-N-(2,6-dimethylphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propanamide
CID 9249376
(2R)-N-benzyl-N-tert-butyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 9249415
(2S)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-(2-phenylphenyl)propanamide
CID 2100076
(2R)-N-[(2-chlorophenyl)methyl]-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propanamide
CID 9249328
(2R)-N-(tert-butylcarbamoyl)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propanamide
CID 9249446
(2S)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-[(2-methoxyphenyl)methyl]propanamide
CID 9432728
(2S)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-(2,3,4-trifluorophenyl)propanamide
CID 2552521
(2S)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-[(2-methoxyphenyl)methyl]propanamide
CID 9430399
(2R)-N-(3-fluorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propanamide
CID 9249280

Frequently Asked Questions

What is the IUPAC name of (2R)-N-benzyl-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-methylpropanamide?
The IUPAC name of (2R)-N-benzyl-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-methylpropanamide (CID 8004755) is (2R)-N-benzyl-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-methylpropanamide.
What is the SMILES notation for (2R)-N-benzyl-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-methylpropanamide?
The canonical SMILES for (2R)-N-benzyl-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-methylpropanamide is COc1ccccc1N1CC[NH+]([C@H](C)C(=O)N(C)Cc2ccccc2)CC1.
What is the InChIKey of (2R)-N-benzyl-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-methylpropanamide?
The InChIKey is HJWFPZQCXVYUGJ-GOSISDBHSA-O. The full InChI is InChI=1S/C22H29N3O2/c1-18(22(26)23(2)17-19-9-5-4-6-10-19)24-13-15-25(16-14-24)20-11-7-8-12-21(20)27-3/h4-12,18H,13-17H2,1-3H3/p+1/t18-/m1/s1.
What are the key properties of (2R)-N-benzyl-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-methylpropanamide?
(2R)-N-benzyl-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-methylpropanamide has a molecular weight of 368.50 g/mol, XLogP of 1.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-benzyl-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-methylpropanamide is sourced from PubChem (CID 8004755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).