N-(4-fluorophenyl)-2-[4-[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]piperazin-1-yl]acetamide

C19H29FN4O2 — CID 8719254

IUPACN-(4-fluorophenyl)-2-[4-[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]piperazin-1-yl]acetamide
SMILESCC(C)[C@H](C)NC(=O)CN1CCN(CC(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C19H29FN4O2/c1-14(2)15(3)21-18(25)12-23-8-10-24(11-9-23)13-19(26)22-17-6-4-16(20)5-7-17/h4-7,14-15H,8-13H2,1-3H3,(H,21,25)(H,22,26)/t15-/m0/s1
InChIKeySBBRBYHTERWEKB-HNNXBMFYSA-N
MW364.47 g/mol
LogP1.54
Rot. Bonds7

About N-(4-fluorophenyl)-2-[4-[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]piperazin-1-yl]acetamide

N-(4-fluorophenyl)-2-[4-[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]piperazin-1-yl]acetamide (PubChem CID 8719254) has the molecular formula C19H29FN4O2 and a molecular weight of 364.47 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[4-[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[4-[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]piperazin-1-yl]acetamide
PubChem CID8719254
Molecular FormulaC19H29FN4O2
Molecular Weight364.47 g/mol
Exact Mass364.23
IUPAC NameN-(4-fluorophenyl)-2-[4-[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]piperazin-1-yl]acetamide
SMILESCC(C)[C@H](C)NC(=O)CN1CCN(CC(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C19H29FN4O2/c1-14(2)15(3)21-18(25)12-23-8-10-24(11-9-23)13-19(26)22-17-6-4-16(20)5-7-17/h4-7,14-15H,8-13H2,1-3H3,(H,21,25)(H,22,26)/t15-/m0/s1
InChIKeySBBRBYHTERWEKB-HNNXBMFYSA-N
XLogP1.54
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-fluorophenyl)propanamide
CID 9435992
2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-propan-2-ylpropanamide
CID 166605704
2-[4-[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 8719328
N-(4-fluorophenyl)-2-[4-[2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 8719352
N-(4-fluorophenyl)-2-[4-[2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 8719356
N-(4-fluorophenyl)-2-[4-[2-(3-methylanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 9435872
N-(4-ethylphenyl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetamide
CID 22195926
(2R)-N-(4-fluorophenyl)-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]propanamide
CID 8774104
2-(4-benzylpiperazin-1-yl)-N-(4-fluorophenyl)acetamide
CID 847262
2-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 22195587
2-[4-(4-cyanobutyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 51260666
2-[4-(3-amino-2-methylbutanoyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide;dihydrochloride
CID 120502556

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[4-[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[4-[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]piperazin-1-yl]acetamide (CID 8719254) is N-(4-fluorophenyl)-2-[4-[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[4-[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[4-[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]piperazin-1-yl]acetamide is CC(C)[C@H](C)NC(=O)CN1CCN(CC(=O)Nc2ccc(F)cc2)CC1.
What is the InChIKey of N-(4-fluorophenyl)-2-[4-[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]piperazin-1-yl]acetamide?
The InChIKey is SBBRBYHTERWEKB-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H29FN4O2/c1-14(2)15(3)21-18(25)12-23-8-10-24(11-9-23)13-19(26)22-17-6-4-16(20)5-7-17/h4-7,14-15H,8-13H2,1-3H3,(H,21,25)(H,22,26)/t15-/m0/s1.
What are the key properties of N-(4-fluorophenyl)-2-[4-[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]piperazin-1-yl]acetamide?
N-(4-fluorophenyl)-2-[4-[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]piperazin-1-yl]acetamide has a molecular weight of 364.47 g/mol, XLogP of 1.54, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[4-[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 8719254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).