(2R)-N-cyclohexyl-2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]propanamide

C23H36N4O2 — CID 51627460

IUPAC(2R)-N-cyclohexyl-2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]propanamide
SMILESCc1cccc(C)c1NC(=O)CN1CCN([C@H](C)C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C23H36N4O2/c1-17-8-7-9-18(2)22(17)25-21(28)16-26-12-14-27(15-13-26)19(3)23(29)24-20-10-5-4-6-11-20/h7-9,19-20H,4-6,10-16H2,1-3H3,(H,24,29)(H,25,28)/t19-/m1/s1
InChIKeyUDKBVGUCFVYIQY-LJQANCHMSA-N
MW400.57 g/mol
LogP2.70
Rot. Bonds6

About (2R)-N-cyclohexyl-2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]propanamide

(2R)-N-cyclohexyl-2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]propanamide (PubChem CID 51627460) has the molecular formula C23H36N4O2 and a molecular weight of 400.57 g/mol. Its IUPAC name is (2R)-N-cyclohexyl-2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-cyclohexyl-2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]propanamide
PubChem CID51627460
Molecular FormulaC23H36N4O2
Molecular Weight400.57 g/mol
Exact Mass400.28
IUPAC Name(2R)-N-cyclohexyl-2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]propanamide
SMILESCc1cccc(C)c1NC(=O)CN1CCN([C@H](C)C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C23H36N4O2/c1-17-8-7-9-18(2)22(17)25-21(28)16-26-12-14-27(15-13-26)19(3)23(29)24-20-10-5-4-6-11-20/h7-9,19-20H,4-6,10-16H2,1-3H3,(H,24,29)(H,25,28)/t19-/m1/s1
InChIKeyUDKBVGUCFVYIQY-LJQANCHMSA-N
XLogP2.70
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.57
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-N-cyclohexyl-2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]propanamide with MolForge

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Related Compounds

(2S)-N-cyclopropyl-2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 8711915
(2S)-N-cyclohexyl-2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 51626907
ethyl (2S)-2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]propanoate
CID 95099547
(2S)-N-benzhydryl-2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 30955884
(2S)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 30735580
(2S)-2-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]-N-(cyclopentylcarbamoyl)propanamide
CID 31694438
2-[4-[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 8917657
2-(4-cyclopentylpiperazin-1-yl)-N-(2,6-dimethylphenyl)propanamide
CID 86928080
2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-thiophen-2-ylethyl)propanamide
CID 78807578
N-(1-adamantylcarbamoyl)-2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 55364697
N-cyclopropyl-2-[4-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]piperazin-1-yl]propanamide
CID 86917144
(2S)-2-(4-benzylpiperazin-1-yl)-N-cyclohexylpropanamide
CID 51613241

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclohexyl-2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]propanamide?
The IUPAC name of (2R)-N-cyclohexyl-2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]propanamide (CID 51627460) is (2R)-N-cyclohexyl-2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]propanamide.
What is the SMILES notation for (2R)-N-cyclohexyl-2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]propanamide?
The canonical SMILES for (2R)-N-cyclohexyl-2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]propanamide is Cc1cccc(C)c1NC(=O)CN1CCN([C@H](C)C(=O)NC2CCCCC2)CC1.
What is the InChIKey of (2R)-N-cyclohexyl-2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]propanamide?
The InChIKey is UDKBVGUCFVYIQY-LJQANCHMSA-N. The full InChI is InChI=1S/C23H36N4O2/c1-17-8-7-9-18(2)22(17)25-21(28)16-26-12-14-27(15-13-26)19(3)23(29)24-20-10-5-4-6-11-20/h7-9,19-20H,4-6,10-16H2,1-3H3,(H,24,29)(H,25,28)/t19-/m1/s1.
What are the key properties of (2R)-N-cyclohexyl-2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]propanamide?
(2R)-N-cyclohexyl-2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]propanamide has a molecular weight of 400.57 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclohexyl-2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 51627460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).