(2R)-N-(4-fluorophenyl)-2-[4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl]-2-phenylacetamide

C23H29FN4O2 — CID 8774242

IUPAC(2R)-N-(4-fluorophenyl)-2-[4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl]-2-phenylacetamide
SMILESCCCNC(=O)CN1CCN([C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)CC1
InChIInChI=1S/C23H29FN4O2/c1-2-12-25-21(29)17-27-13-15-28(16-14-27)22(18-6-4-3-5-7-18)23(30)26-20-10-8-19(24)9-11-20/h3-11,22H,2,12-17H2,1H3,(H,25,29)(H,26,30)/t22-/m1/s1
InChIKeyLKZXCVDOHIIJFC-JOCHJYFZSA-N
MW412.51 g/mol
LogP2.65
Rot. Bonds8

About (2R)-N-(4-fluorophenyl)-2-[4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl]-2-phenylacetamide

(2R)-N-(4-fluorophenyl)-2-[4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl]-2-phenylacetamide (PubChem CID 8774242) has the molecular formula C23H29FN4O2 and a molecular weight of 412.51 g/mol. Its IUPAC name is (2R)-N-(4-fluorophenyl)-2-[4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl]-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-N-(4-fluorophenyl)-2-[4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl]-2-phenylacetamide
PubChem CID8774242
Molecular FormulaC23H29FN4O2
Molecular Weight412.51 g/mol
Exact Mass412.23
IUPAC Name(2R)-N-(4-fluorophenyl)-2-[4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl]-2-phenylacetamide
SMILESCCCNC(=O)CN1CCN([C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)CC1
InChIInChI=1S/C23H29FN4O2/c1-2-12-25-21(29)17-27-13-15-28(16-14-27)22(18-6-4-3-5-7-18)23(30)26-20-10-8-19(24)9-11-20/h3-11,22H,2,12-17H2,1H3,(H,25,29)(H,26,30)/t22-/m1/s1
InChIKeyLKZXCVDOHIIJFC-JOCHJYFZSA-N
XLogP2.65
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.51
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-carbamoyl-2-[4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl]-2-phenylacetamide
CID 55382083
(2S)-N-(4-fluorophenyl)-2-[4-[(2S)-1-hydroxybutan-2-yl]piperazin-1-yl]-2-phenylacetamide
CID 124607905
(2R)-N-(4-fluorophenyl)-2-[4-(3-hydroxypropyl)piperazin-1-yl]-2-phenylacetamide
CID 124514274
N-(4-fluorophenyl)-4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carboxamide
CID 17446865
N-(4-fluorophenyl)-2-[4-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]piperazin-1-yl]acetamide
CID 30734011
2-[4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl]-N-cyclopropyl-2-(4-fluorophenyl)acetamide
CID 16595090
2-[4-[(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]piperazin-1-yl]-N-propylacetamide
CID 8774224
(2R)-N-benzhydryl-2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 30628505
(2S)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(4-fluorophenyl)-2-phenylacetamide
CID 32701204
(2R)-2-(4-methylpiperazin-1-yl)-2-phenyl-N-propylacetamide
CID 94820416
N-(4-fluorophenyl)-2-[4-[2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl]piperazin-1-yl]acetamide
CID 8719392
2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-hexylacetamide
CID 8804929

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-fluorophenyl)-2-[4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl]-2-phenylacetamide?
The IUPAC name of (2R)-N-(4-fluorophenyl)-2-[4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl]-2-phenylacetamide (CID 8774242) is (2R)-N-(4-fluorophenyl)-2-[4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl]-2-phenylacetamide.
What is the SMILES notation for (2R)-N-(4-fluorophenyl)-2-[4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl]-2-phenylacetamide?
The canonical SMILES for (2R)-N-(4-fluorophenyl)-2-[4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl]-2-phenylacetamide is CCCNC(=O)CN1CCN([C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)CC1.
What is the InChIKey of (2R)-N-(4-fluorophenyl)-2-[4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl]-2-phenylacetamide?
The InChIKey is LKZXCVDOHIIJFC-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H29FN4O2/c1-2-12-25-21(29)17-27-13-15-28(16-14-27)22(18-6-4-3-5-7-18)23(30)26-20-10-8-19(24)9-11-20/h3-11,22H,2,12-17H2,1H3,(H,25,29)(H,26,30)/t22-/m1/s1.
What are the key properties of (2R)-N-(4-fluorophenyl)-2-[4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl]-2-phenylacetamide?
(2R)-N-(4-fluorophenyl)-2-[4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl]-2-phenylacetamide has a molecular weight of 412.51 g/mol, XLogP of 2.65, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-fluorophenyl)-2-[4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl]-2-phenylacetamide is sourced from PubChem (CID 8774242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).