(2S)-N,N-diethyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]-2-phenylacetamide

C23H28FN3O2 — CID 30776820

IUPAC(2S)-N,N-diethyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]-2-phenylacetamide
SMILESCCN(CC)C(=O)[C@H](c1ccccc1)N1CCN(C(=O)c2ccccc2F)CC1
InChIInChI=1S/C23H28FN3O2/c1-3-25(4-2)23(29)21(18-10-6-5-7-11-18)26-14-16-27(17-15-26)22(28)19-12-8-9-13-20(19)24/h5-13,21H,3-4,14-17H2,1-2H3/t21-/m0/s1
InChIKeyMRSQQWUZOACRIH-NRFANRHFSA-N
MW397.49 g/mol
LogP3.19
Rot. Bonds6

About (2S)-N,N-diethyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]-2-phenylacetamide

(2S)-N,N-diethyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]-2-phenylacetamide (PubChem CID 30776820) has the molecular formula C23H28FN3O2 and a molecular weight of 397.49 g/mol. Its IUPAC name is (2S)-N,N-diethyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-N,N-diethyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]-2-phenylacetamide
PubChem CID30776820
Molecular FormulaC23H28FN3O2
Molecular Weight397.49 g/mol
Exact Mass397.22
IUPAC Name(2S)-N,N-diethyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]-2-phenylacetamide
SMILESCCN(CC)C(=O)[C@H](c1ccccc1)N1CCN(C(=O)c2ccccc2F)CC1
InChIInChI=1S/C23H28FN3O2/c1-3-25(4-2)23(29)21(18-10-6-5-7-11-18)26-14-16-27(17-15-26)22(28)19-12-8-9-13-20(19)24/h5-13,21H,3-4,14-17H2,1-2H3/t21-/m0/s1
InChIKeyMRSQQWUZOACRIH-NRFANRHFSA-N
XLogP3.19
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.49
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-2-[4-(2-methylpropyl)piperazin-1-yl]-2-phenylacetamide
CID 55410522
(2-fluorophenyl)-[4-[(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]methanone
CID 46100028
N,N-diethyl-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-phenylacetamide
CID 55498439
2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N,N-diethyl-2-phenylacetamide
CID 55432148
N,N-diethyl-2-[4-[2-fluoro-4-(4-methylphenyl)phenyl]piperazin-1-yl]-2-phenylacetamide
CID 58055774
N,N-diethyl-2-[4-(2-fluoro-4-formylphenyl)piperazin-1-yl]-2-phenylacetamide
CID 86612370
N,N-diethyl-2-phenyl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide
CID 55469592
N,N-diethyl-2-[4-(2-fluoro-4-nitrophenyl)piperazin-1-yl]-2-phenylacetamide
CID 58157308
1-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]-2,2-diphenylethanone
CID 78849819
[4-(2-fluorobenzoyl)piperazin-1-yl]-phenylmethanone
CID 776715
[4-(1-cyclopropylethyl)piperazin-1-yl]-(2-fluorophenyl)methanone
CID 110708758
N-[2-[4-[2-(diethylamino)-2-oxo-1-phenylethyl]piperazin-1-yl]pyrimidin-5-yl]-2-ethylbutanamide
CID 58870770

Frequently Asked Questions

What is the IUPAC name of (2S)-N,N-diethyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]-2-phenylacetamide?
The IUPAC name of (2S)-N,N-diethyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]-2-phenylacetamide (CID 30776820) is (2S)-N,N-diethyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]-2-phenylacetamide.
What is the SMILES notation for (2S)-N,N-diethyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]-2-phenylacetamide?
The canonical SMILES for (2S)-N,N-diethyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]-2-phenylacetamide is CCN(CC)C(=O)[C@H](c1ccccc1)N1CCN(C(=O)c2ccccc2F)CC1.
What is the InChIKey of (2S)-N,N-diethyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]-2-phenylacetamide?
The InChIKey is MRSQQWUZOACRIH-NRFANRHFSA-N. The full InChI is InChI=1S/C23H28FN3O2/c1-3-25(4-2)23(29)21(18-10-6-5-7-11-18)26-14-16-27(17-15-26)22(28)19-12-8-9-13-20(19)24/h5-13,21H,3-4,14-17H2,1-2H3/t21-/m0/s1.
What are the key properties of (2S)-N,N-diethyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]-2-phenylacetamide?
(2S)-N,N-diethyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]-2-phenylacetamide has a molecular weight of 397.49 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,N-diethyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]-2-phenylacetamide is sourced from PubChem (CID 30776820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).