(2R)-N-(2-fluorophenyl)-2-[4-[2-oxo-2-(propylamino)ethyl]piperazine-1,4-diium-1-yl]propanamide

C18H29FN4O2+2 — CID 8774209

IUPAC(2R)-N-(2-fluorophenyl)-2-[4-[2-oxo-2-(propylamino)ethyl]piperazine-1,4-diium-1-yl]propanamide
SMILESCCCNC(=O)C[NH+]1CC[NH+]([C@H](C)C(=O)Nc2ccccc2F)CC1
InChIInChI=1S/C18H27FN4O2/c1-3-8-20-17(24)13-22-9-11-23(12-10-22)14(2)18(25)21-16-7-5-4-6-15(16)19/h4-7,14H,3,8-13H2,1-2H3,(H,20,24)(H,21,25)/p+2/t14-/m1/s1
InChIKeyLOHSRCCNXOSFKU-CQSZACIVSA-P
MW352.45 g/mol
LogP-1.54
Rot. Bonds7

About (2R)-N-(2-fluorophenyl)-2-[4-[2-oxo-2-(propylamino)ethyl]piperazine-1,4-diium-1-yl]propanamide

(2R)-N-(2-fluorophenyl)-2-[4-[2-oxo-2-(propylamino)ethyl]piperazine-1,4-diium-1-yl]propanamide (PubChem CID 8774209) has the molecular formula C18H29FN4O2+2 and a molecular weight of 352.45 g/mol. Its IUPAC name is (2R)-N-(2-fluorophenyl)-2-[4-[2-oxo-2-(propylamino)ethyl]piperazine-1,4-diium-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-(2-fluorophenyl)-2-[4-[2-oxo-2-(propylamino)ethyl]piperazine-1,4-diium-1-yl]propanamide
PubChem CID8774209
Molecular FormulaC18H29FN4O2+2
Molecular Weight352.45 g/mol
Exact Mass352.23
IUPAC Name(2R)-N-(2-fluorophenyl)-2-[4-[2-oxo-2-(propylamino)ethyl]piperazine-1,4-diium-1-yl]propanamide
SMILESCCCNC(=O)C[NH+]1CC[NH+]([C@H](C)C(=O)Nc2ccccc2F)CC1
InChIInChI=1S/C18H27FN4O2/c1-3-8-20-17(24)13-22-9-11-23(12-10-22)14(2)18(25)21-16-7-5-4-6-15(16)19/h4-7,14H,3,8-13H2,1-2H3,(H,20,24)(H,21,25)/p+2/t14-/m1/s1
InChIKeyLOHSRCCNXOSFKU-CQSZACIVSA-P
XLogP-1.54
TPSA67.08 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.45
LogP ≤ 5-1.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[4-[2-oxo-2-(propylamino)ethyl]piperazine-1,4-diium-1-yl]-N-(2,3,4-trifluorophenyl)propanamide
CID 8774257
(2R)-2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-(2-fluorophenyl)propanamide
CID 9435262
(2S)-2-[4-[2-(butylamino)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-phenylpropanamide
CID 8774423
(2S)-2-[4-[2-(butylamino)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-(2-chloro-4-fluorophenyl)propanamide
CID 8774379
(2S)-2-[4-[2-oxo-2-(propylamino)ethyl]piperazine-1,4-diium-1-yl]-N-(2,4,6-trimethylphenyl)propanamide
CID 8774283
(2R)-N-(2-fluorophenyl)-2-[4-(naphthalen-1-ylmethyl)piperazine-1,4-diium-1-yl]propanamide
CID 9047010
(2R)-2-[4-[2-(butylamino)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-(5-chloro-2-methoxyphenyl)propanamide
CID 8774385
(2R)-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]-N-(2-fluorophenyl)propanamide
CID 9436301
(2R)-2-[(2-fluorophenyl)carbamoylamino]-N-propylpropanamide
CID 94185477
2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-N-propylpropanamide
CID 60695769
2-(4-acetylpiperazin-1-ium-1-yl)-N-(2-fluorophenyl)acetamide
CID 8904357
(2R)-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazine-1,4-diium-1-yl]-N-phenylpropanamide
CID 8774135

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-fluorophenyl)-2-[4-[2-oxo-2-(propylamino)ethyl]piperazine-1,4-diium-1-yl]propanamide?
The IUPAC name of (2R)-N-(2-fluorophenyl)-2-[4-[2-oxo-2-(propylamino)ethyl]piperazine-1,4-diium-1-yl]propanamide (CID 8774209) is (2R)-N-(2-fluorophenyl)-2-[4-[2-oxo-2-(propylamino)ethyl]piperazine-1,4-diium-1-yl]propanamide.
What is the SMILES notation for (2R)-N-(2-fluorophenyl)-2-[4-[2-oxo-2-(propylamino)ethyl]piperazine-1,4-diium-1-yl]propanamide?
The canonical SMILES for (2R)-N-(2-fluorophenyl)-2-[4-[2-oxo-2-(propylamino)ethyl]piperazine-1,4-diium-1-yl]propanamide is CCCNC(=O)C[NH+]1CC[NH+]([C@H](C)C(=O)Nc2ccccc2F)CC1.
What is the InChIKey of (2R)-N-(2-fluorophenyl)-2-[4-[2-oxo-2-(propylamino)ethyl]piperazine-1,4-diium-1-yl]propanamide?
The InChIKey is LOHSRCCNXOSFKU-CQSZACIVSA-P. The full InChI is InChI=1S/C18H27FN4O2/c1-3-8-20-17(24)13-22-9-11-23(12-10-22)14(2)18(25)21-16-7-5-4-6-15(16)19/h4-7,14H,3,8-13H2,1-2H3,(H,20,24)(H,21,25)/p+2/t14-/m1/s1.
What are the key properties of (2R)-N-(2-fluorophenyl)-2-[4-[2-oxo-2-(propylamino)ethyl]piperazine-1,4-diium-1-yl]propanamide?
(2R)-N-(2-fluorophenyl)-2-[4-[2-oxo-2-(propylamino)ethyl]piperazine-1,4-diium-1-yl]propanamide has a molecular weight of 352.45 g/mol, XLogP of -1.54, 7 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-fluorophenyl)-2-[4-[2-oxo-2-(propylamino)ethyl]piperazine-1,4-diium-1-yl]propanamide is sourced from PubChem (CID 8774209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).