(2S)-N-cyclopropyl-2-[4-[2-(3-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-2-phenylacetamide

C23H27FN4O2 — CID 9044690

IUPAC(2S)-N-cyclopropyl-2-[4-[2-(3-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-2-phenylacetamide
SMILESO=C(CN1CCN([C@H](C(=O)NC2CC2)c2ccccc2)CC1)Nc1cccc(F)c1
InChIInChI=1S/C23H27FN4O2/c24-18-7-4-8-20(15-18)25-21(29)16-27-11-13-28(14-12-27)22(17-5-2-1-3-6-17)23(30)26-19-9-10-19/h1-8,15,19,22H,9-14,16H2,(H,25,29)(H,26,30)/t22-/m0/s1
InChIKeyFIDJHUPJAVBWBZ-QFIPXVFZSA-N
MW410.49 g/mol
LogP2.40
Rot. Bonds7

About (2S)-N-cyclopropyl-2-[4-[2-(3-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-2-phenylacetamide

(2S)-N-cyclopropyl-2-[4-[2-(3-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-2-phenylacetamide (PubChem CID 9044690) has the molecular formula C23H27FN4O2 and a molecular weight of 410.49 g/mol. Its IUPAC name is (2S)-N-cyclopropyl-2-[4-[2-(3-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-N-cyclopropyl-2-[4-[2-(3-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-2-phenylacetamide
PubChem CID9044690
Molecular FormulaC23H27FN4O2
Molecular Weight410.49 g/mol
Exact Mass410.21
IUPAC Name(2S)-N-cyclopropyl-2-[4-[2-(3-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-2-phenylacetamide
SMILESO=C(CN1CCN([C@H](C(=O)NC2CC2)c2ccccc2)CC1)Nc1cccc(F)c1
InChIInChI=1S/C23H27FN4O2/c24-18-7-4-8-20(15-18)25-21(29)16-27-11-13-28(14-12-27)22(17-5-2-1-3-6-17)23(30)26-19-9-10-19/h1-8,15,19,22H,9-14,16H2,(H,25,29)(H,26,30)/t22-/m0/s1
InChIKeyFIDJHUPJAVBWBZ-QFIPXVFZSA-N
XLogP2.40
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.49
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-2-phenyl-N-[3-(trifluoromethyl)phenyl]acetamide
CID 30622583
(2S)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-2-phenyl-N-[3-(trifluoromethyl)phenyl]acetamide
CID 30622579
2-[4-[2-(3-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-methylcyclohexyl)acetamide
CID 8711203
(2S)-N-cyclopropyl-2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-2-phenylacetamide
CID 9046791
N-(3-fluorophenyl)-2-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]acetamide
CID 33350694
(2R)-2-[4-[2-(3-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-fluorophenyl)propanamide
CID 9433613
2-fluoro-N-[1-[2-(3-fluoroanilino)-2-oxoethyl]piperidin-4-yl]benzamide
CID 60508520
N-cyclopropyl-2-[4-[2-oxo-2-(3-propan-2-ylanilino)ethyl]piperazin-1-yl]acetamide
CID 30670633
1-[2-(3-fluoroanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 9134379
4-[2-(3-fluoroanilino)-2-oxoethyl]-N-phenylpiperazine-1-carboxamide
CID 17397265
2-(4-benzylpiperazin-1-yl)-N-cyclopropyl-2-(4-fluorophenyl)acetamide
CID 24593623
(2S)-N-cyclopropyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-2-phenylacetamide
CID 30959081

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopropyl-2-[4-[2-(3-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-2-phenylacetamide?
The IUPAC name of (2S)-N-cyclopropyl-2-[4-[2-(3-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-2-phenylacetamide (CID 9044690) is (2S)-N-cyclopropyl-2-[4-[2-(3-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-2-phenylacetamide.
What is the SMILES notation for (2S)-N-cyclopropyl-2-[4-[2-(3-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-2-phenylacetamide?
The canonical SMILES for (2S)-N-cyclopropyl-2-[4-[2-(3-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-2-phenylacetamide is O=C(CN1CCN([C@H](C(=O)NC2CC2)c2ccccc2)CC1)Nc1cccc(F)c1.
What is the InChIKey of (2S)-N-cyclopropyl-2-[4-[2-(3-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-2-phenylacetamide?
The InChIKey is FIDJHUPJAVBWBZ-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H27FN4O2/c24-18-7-4-8-20(15-18)25-21(29)16-27-11-13-28(14-12-27)22(17-5-2-1-3-6-17)23(30)26-19-9-10-19/h1-8,15,19,22H,9-14,16H2,(H,25,29)(H,26,30)/t22-/m0/s1.
What are the key properties of (2S)-N-cyclopropyl-2-[4-[2-(3-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-2-phenylacetamide?
(2S)-N-cyclopropyl-2-[4-[2-(3-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-2-phenylacetamide has a molecular weight of 410.49 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopropyl-2-[4-[2-(3-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-2-phenylacetamide is sourced from PubChem (CID 9044690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).