(2R)-N-(2-fluorophenyl)-2-[4-(naphthalen-1-ylmethyl)piperazine-1,4-diium-1-yl]propanamide

C24H28FN3O+2 — CID 9047010

IUPAC(2R)-N-(2-fluorophenyl)-2-[4-(naphthalen-1-ylmethyl)piperazine-1,4-diium-1-yl]propanamide
SMILESC[C@H](C(=O)Nc1ccccc1F)[NH+]1CC[NH+](Cc2cccc3ccccc23)CC1
InChIInChI=1S/C24H26FN3O/c1-18(24(29)26-23-12-5-4-11-22(23)25)28-15-13-27(14-16-28)17-20-9-6-8-19-7-2-3-10-21(19)20/h2-12,18H,13-17H2,1H3,(H,26,29)/p+2/t18-/m1/s1
InChIKeyIYKQCGSPKYFBDI-GOSISDBHSA-P
MW393.51 g/mol
LogP1.29
Rot. Bonds5

About (2R)-N-(2-fluorophenyl)-2-[4-(naphthalen-1-ylmethyl)piperazine-1,4-diium-1-yl]propanamide

(2R)-N-(2-fluorophenyl)-2-[4-(naphthalen-1-ylmethyl)piperazine-1,4-diium-1-yl]propanamide (PubChem CID 9047010) has the molecular formula C24H28FN3O+2 and a molecular weight of 393.51 g/mol. Its IUPAC name is (2R)-N-(2-fluorophenyl)-2-[4-(naphthalen-1-ylmethyl)piperazine-1,4-diium-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-(2-fluorophenyl)-2-[4-(naphthalen-1-ylmethyl)piperazine-1,4-diium-1-yl]propanamide
PubChem CID9047010
Molecular FormulaC24H28FN3O+2
Molecular Weight393.51 g/mol
Exact Mass393.22
IUPAC Name(2R)-N-(2-fluorophenyl)-2-[4-(naphthalen-1-ylmethyl)piperazine-1,4-diium-1-yl]propanamide
SMILESC[C@H](C(=O)Nc1ccccc1F)[NH+]1CC[NH+](Cc2cccc3ccccc23)CC1
InChIInChI=1S/C24H26FN3O/c1-18(24(29)26-23-12-5-4-11-22(23)25)28-15-13-27(14-16-28)17-20-9-6-8-19-7-2-3-10-21(19)20/h2-12,18H,13-17H2,1H3,(H,26,29)/p+2/t18-/m1/s1
InChIKeyIYKQCGSPKYFBDI-GOSISDBHSA-P
XLogP1.29
TPSA37.98 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]-N-(2-fluorophenyl)propanamide
CID 9436301
(2R)-2-[4-(naphthalen-1-ylmethyl)piperazine-1,4-diium-1-yl]propanamide
CID 9047105
(2R)-2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-(2-fluorophenyl)propanamide
CID 9435262
(2R)-N-(2-fluorophenyl)-2-[4-[2-oxo-2-(propylamino)ethyl]piperazine-1,4-diium-1-yl]propanamide
CID 8774209
(2R)-2-[4-[(3-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]-N-(2,3,4-trifluorophenyl)propanamide
CID 9258411
(2R)-2-(2-fluoroanilino)-N-naphthalen-1-ylpropanamide
CID 7872612
(2R)-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]-N-(2-nitrophenyl)propanamide
CID 9436379
(2R)-2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-fluorophenyl)propanamide
CID 2524818
(2R)-2-[4-[(4-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]-N-(2-cyanophenyl)propanamide
CID 9389795
(2S)-2-[(3R,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-N-naphthalen-1-ylpropanamide
CID 8929830
(2S)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-N-naphthalen-1-ylpropanamide
CID 8929833
3-methyl-1-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]butan-1-one
CID 4742437

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-fluorophenyl)-2-[4-(naphthalen-1-ylmethyl)piperazine-1,4-diium-1-yl]propanamide?
The IUPAC name of (2R)-N-(2-fluorophenyl)-2-[4-(naphthalen-1-ylmethyl)piperazine-1,4-diium-1-yl]propanamide (CID 9047010) is (2R)-N-(2-fluorophenyl)-2-[4-(naphthalen-1-ylmethyl)piperazine-1,4-diium-1-yl]propanamide.
What is the SMILES notation for (2R)-N-(2-fluorophenyl)-2-[4-(naphthalen-1-ylmethyl)piperazine-1,4-diium-1-yl]propanamide?
The canonical SMILES for (2R)-N-(2-fluorophenyl)-2-[4-(naphthalen-1-ylmethyl)piperazine-1,4-diium-1-yl]propanamide is C[C@H](C(=O)Nc1ccccc1F)[NH+]1CC[NH+](Cc2cccc3ccccc23)CC1.
What is the InChIKey of (2R)-N-(2-fluorophenyl)-2-[4-(naphthalen-1-ylmethyl)piperazine-1,4-diium-1-yl]propanamide?
The InChIKey is IYKQCGSPKYFBDI-GOSISDBHSA-P. The full InChI is InChI=1S/C24H26FN3O/c1-18(24(29)26-23-12-5-4-11-22(23)25)28-15-13-27(14-16-28)17-20-9-6-8-19-7-2-3-10-21(19)20/h2-12,18H,13-17H2,1H3,(H,26,29)/p+2/t18-/m1/s1.
What are the key properties of (2R)-N-(2-fluorophenyl)-2-[4-(naphthalen-1-ylmethyl)piperazine-1,4-diium-1-yl]propanamide?
(2R)-N-(2-fluorophenyl)-2-[4-(naphthalen-1-ylmethyl)piperazine-1,4-diium-1-yl]propanamide has a molecular weight of 393.51 g/mol, XLogP of 1.29, 5 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-fluorophenyl)-2-[4-(naphthalen-1-ylmethyl)piperazine-1,4-diium-1-yl]propanamide is sourced from PubChem (CID 9047010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).