(2R)-N-cyclohexyl-2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-methylpropanamide

C22H33FN4O2 — CID 30621428

IUPAC(2R)-N-cyclohexyl-2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-methylpropanamide
SMILESC[C@H](C(=O)N(C)C1CCCCC1)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C22H33FN4O2/c1-17(22(29)25(2)20-6-4-3-5-7-20)27-14-12-26(13-15-27)16-21(28)24-19-10-8-18(23)9-11-19/h8-11,17,20H,3-7,12-16H2,1-2H3,(H,24,28)/t17-/m1/s1
InChIKeyIWQDDDRWJGLVFM-QGZVFWFLSA-N
MW404.53 g/mol
LogP2.56
Rot. Bonds6

About (2R)-N-cyclohexyl-2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-methylpropanamide

(2R)-N-cyclohexyl-2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-methylpropanamide (PubChem CID 30621428) has the molecular formula C22H33FN4O2 and a molecular weight of 404.53 g/mol. Its IUPAC name is (2R)-N-cyclohexyl-2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-methylpropanamide.

Molecular Properties

Compound Name(2R)-N-cyclohexyl-2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-methylpropanamide
PubChem CID30621428
Molecular FormulaC22H33FN4O2
Molecular Weight404.53 g/mol
Exact Mass404.26
IUPAC Name(2R)-N-cyclohexyl-2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-methylpropanamide
SMILESC[C@H](C(=O)N(C)C1CCCCC1)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C22H33FN4O2/c1-17(22(29)25(2)20-6-4-3-5-7-20)27-14-12-26(13-15-27)16-21(28)24-19-10-8-18(23)9-11-19/h8-11,17,20H,3-7,12-16H2,1-2H3,(H,24,28)/t17-/m1/s1
InChIKeyIWQDDDRWJGLVFM-QGZVFWFLSA-N
XLogP2.56
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.53
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-N-cyclohexyl-2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-cyclohexyl-2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 51626907
(2S)-N-cyclohexyl-2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-methylpropanamide
CID 30622887
(2S)-N-cyclohexyl-2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-N-methylpropanamide
CID 30620685
(2R)-2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-cyclohexyl-N-methylpropanamide
CID 30620317
(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
(2R)-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 11933587
(2R)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 11933591
(2R)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-(4-fluorophenyl)propanamide
CID 30736100
2-[4-[(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 9435978
(2R)-2-[4-[2-(3-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-fluorophenyl)propanamide
CID 9433613
(2R)-N-(4-fluorophenyl)-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]propanamide
CID 8774104

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclohexyl-2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-methylpropanamide?
The IUPAC name of (2R)-N-cyclohexyl-2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-methylpropanamide (CID 30621428) is (2R)-N-cyclohexyl-2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-methylpropanamide.
What is the SMILES notation for (2R)-N-cyclohexyl-2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-methylpropanamide?
The canonical SMILES for (2R)-N-cyclohexyl-2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-methylpropanamide is C[C@H](C(=O)N(C)C1CCCCC1)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1.
What is the InChIKey of (2R)-N-cyclohexyl-2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-methylpropanamide?
The InChIKey is IWQDDDRWJGLVFM-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H33FN4O2/c1-17(22(29)25(2)20-6-4-3-5-7-20)27-14-12-26(13-15-27)16-21(28)24-19-10-8-18(23)9-11-19/h8-11,17,20H,3-7,12-16H2,1-2H3,(H,24,28)/t17-/m1/s1.
What are the key properties of (2R)-N-cyclohexyl-2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-methylpropanamide?
(2R)-N-cyclohexyl-2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-methylpropanamide has a molecular weight of 404.53 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclohexyl-2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-methylpropanamide is sourced from PubChem (CID 30621428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).