(2S)-N-cyclohexyl-2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]propanamide

C21H31FN4O2 — CID 51626907

IUPAC(2S)-N-cyclohexyl-2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]propanamide
SMILESC[C@@H](C(=O)NC1CCCCC1)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C21H31FN4O2/c1-16(21(28)24-18-5-3-2-4-6-18)26-13-11-25(12-14-26)15-20(27)23-19-9-7-17(22)8-10-19/h7-10,16,18H,2-6,11-15H2,1H3,(H,23,27)(H,24,28)/t16-/m0/s1
InChIKeyGGFBDTNVBXELAX-INIZCTEOSA-N
MW390.50 g/mol
LogP2.22
Rot. Bonds6

About (2S)-N-cyclohexyl-2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]propanamide

(2S)-N-cyclohexyl-2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]propanamide (PubChem CID 51626907) has the molecular formula C21H31FN4O2 and a molecular weight of 390.50 g/mol. Its IUPAC name is (2S)-N-cyclohexyl-2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-cyclohexyl-2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]propanamide
PubChem CID51626907
Molecular FormulaC21H31FN4O2
Molecular Weight390.50 g/mol
Exact Mass390.24
IUPAC Name(2S)-N-cyclohexyl-2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]propanamide
SMILESC[C@@H](C(=O)NC1CCCCC1)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C21H31FN4O2/c1-16(21(28)24-18-5-3-2-4-6-18)26-13-11-25(12-14-26)15-20(27)23-19-9-7-17(22)8-10-19/h7-10,16,18H,2-6,11-15H2,1H3,(H,23,27)(H,24,28)/t16-/m0/s1
InChIKeyGGFBDTNVBXELAX-INIZCTEOSA-N
XLogP2.22
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.50
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-N-cyclohexyl-2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]propanamide 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)-2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-fluorophenyl)propanamide
CID 9435992
(2R)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-(4-fluorophenyl)propanamide
CID 30736100
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)-N-cyclohexyl-2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-methylpropanamide
CID 30621428
(2R)-N-(4-fluorophenyl)-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]propanamide
CID 8774104
(2S)-2-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]-N-(cyclopentylcarbamoyl)propanamide
CID 31694438
N-cyclopropyl-2-[4-[2-(2,5-difluoroanilino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 43037820
(2R)-N-cyclohexyl-2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 51627460
(2R)-2-[4-[2-(3-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-fluorophenyl)propanamide
CID 9433613
2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-(2,4,5-trichlorophenyl)propanamide
CID 55364731

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclohexyl-2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]propanamide?
The IUPAC name of (2S)-N-cyclohexyl-2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]propanamide (CID 51626907) is (2S)-N-cyclohexyl-2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]propanamide.
What is the SMILES notation for (2S)-N-cyclohexyl-2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]propanamide?
The canonical SMILES for (2S)-N-cyclohexyl-2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]propanamide is C[C@@H](C(=O)NC1CCCCC1)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1.
What is the InChIKey of (2S)-N-cyclohexyl-2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]propanamide?
The InChIKey is GGFBDTNVBXELAX-INIZCTEOSA-N. The full InChI is InChI=1S/C21H31FN4O2/c1-16(21(28)24-18-5-3-2-4-6-18)26-13-11-25(12-14-26)15-20(27)23-19-9-7-17(22)8-10-19/h7-10,16,18H,2-6,11-15H2,1H3,(H,23,27)(H,24,28)/t16-/m0/s1.
What are the key properties of (2S)-N-cyclohexyl-2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]propanamide?
(2S)-N-cyclohexyl-2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]propanamide has a molecular weight of 390.50 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclohexyl-2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 51626907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).