(2R)-2-[4-[2-(4-methylanilino)-2-oxoethyl]piperazin-1-yl]-N-[(1S)-1-phenylethyl]propanamide

C24H32N4O2 — CID 30723875

IUPAC(2R)-2-[4-[2-(4-methylanilino)-2-oxoethyl]piperazin-1-yl]-N-[(1S)-1-phenylethyl]propanamide
SMILESCc1ccc(NC(=O)CN2CCN([C@H](C)C(=O)N[C@@H](C)c3ccccc3)CC2)cc1
InChIInChI=1S/C24H32N4O2/c1-18-9-11-22(12-10-18)26-23(29)17-27-13-15-28(16-14-27)20(3)24(30)25-19(2)21-7-5-4-6-8-21/h4-12,19-20H,13-17H2,1-3H3,(H,25,30)(H,26,29)/t19-,20+/m0/s1
InChIKeyOUXWVQGVHAVRIP-VQTJNVASSA-N
MW408.55 g/mol
LogP2.82
Rot. Bonds7

About (2R)-2-[4-[2-(4-methylanilino)-2-oxoethyl]piperazin-1-yl]-N-[(1S)-1-phenylethyl]propanamide

(2R)-2-[4-[2-(4-methylanilino)-2-oxoethyl]piperazin-1-yl]-N-[(1S)-1-phenylethyl]propanamide (PubChem CID 30723875) has the molecular formula C24H32N4O2 and a molecular weight of 408.55 g/mol. Its IUPAC name is (2R)-2-[4-[2-(4-methylanilino)-2-oxoethyl]piperazin-1-yl]-N-[(1S)-1-phenylethyl]propanamide.

Molecular Properties

Compound Name(2R)-2-[4-[2-(4-methylanilino)-2-oxoethyl]piperazin-1-yl]-N-[(1S)-1-phenylethyl]propanamide
PubChem CID30723875
Molecular FormulaC24H32N4O2
Molecular Weight408.55 g/mol
Exact Mass408.25
IUPAC Name(2R)-2-[4-[2-(4-methylanilino)-2-oxoethyl]piperazin-1-yl]-N-[(1S)-1-phenylethyl]propanamide
SMILESCc1ccc(NC(=O)CN2CCN([C@H](C)C(=O)N[C@@H](C)c3ccccc3)CC2)cc1
InChIInChI=1S/C24H32N4O2/c1-18-9-11-22(12-10-18)26-23(29)17-27-13-15-28(16-14-27)20(3)24(30)25-19(2)21-7-5-4-6-8-21/h4-12,19-20H,13-17H2,1-3H3,(H,25,30)(H,26,29)/t19-,20+/m0/s1
InChIKeyOUXWVQGVHAVRIP-VQTJNVASSA-N
XLogP2.82
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[4-[2-(4-methylanilino)-2-oxoethyl]piperazin-1-yl]-N-[(1S)-1-phenylethyl]propanamide with MolForge

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Related Compounds

N-(4-methylphenyl)-2-[4-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]piperazin-1-yl]acetamide
CID 30722668
(2R)-N-benzhydryl-2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 30628505
(2R)-2-[4-[2-(4-methylanilino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 51631928
2-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]-N-(2,4-dimethylphenyl)propanamide
CID 51334142
2-(4-ethylpiperazin-1-yl)-N-(1-phenylethyl)propanamide
CID 78787136
2-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]propanoic acid
CID 62310082
(2S)-N-benzhydryl-2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 30955884
2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-propan-2-ylpropanamide
CID 166605704
(2R)-N-benzyl-N-methyl-2-[4-[2-(4-methylanilino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 30738921
(2S)-2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-fluorophenyl)propanamide
CID 9435992
(2S)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-(4-methylphenyl)propanamide
CID 30739585
N-(4-methylphenyl)-2-[4-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]piperazin-1-yl]acetamide
CID 30722810

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-[2-(4-methylanilino)-2-oxoethyl]piperazin-1-yl]-N-[(1S)-1-phenylethyl]propanamide?
The IUPAC name of (2R)-2-[4-[2-(4-methylanilino)-2-oxoethyl]piperazin-1-yl]-N-[(1S)-1-phenylethyl]propanamide (CID 30723875) is (2R)-2-[4-[2-(4-methylanilino)-2-oxoethyl]piperazin-1-yl]-N-[(1S)-1-phenylethyl]propanamide.
What is the SMILES notation for (2R)-2-[4-[2-(4-methylanilino)-2-oxoethyl]piperazin-1-yl]-N-[(1S)-1-phenylethyl]propanamide?
The canonical SMILES for (2R)-2-[4-[2-(4-methylanilino)-2-oxoethyl]piperazin-1-yl]-N-[(1S)-1-phenylethyl]propanamide is Cc1ccc(NC(=O)CN2CCN([C@H](C)C(=O)N[C@@H](C)c3ccccc3)CC2)cc1.
What is the InChIKey of (2R)-2-[4-[2-(4-methylanilino)-2-oxoethyl]piperazin-1-yl]-N-[(1S)-1-phenylethyl]propanamide?
The InChIKey is OUXWVQGVHAVRIP-VQTJNVASSA-N. The full InChI is InChI=1S/C24H32N4O2/c1-18-9-11-22(12-10-18)26-23(29)17-27-13-15-28(16-14-27)20(3)24(30)25-19(2)21-7-5-4-6-8-21/h4-12,19-20H,13-17H2,1-3H3,(H,25,30)(H,26,29)/t19-,20+/m0/s1.
What are the key properties of (2R)-2-[4-[2-(4-methylanilino)-2-oxoethyl]piperazin-1-yl]-N-[(1S)-1-phenylethyl]propanamide?
(2R)-2-[4-[2-(4-methylanilino)-2-oxoethyl]piperazin-1-yl]-N-[(1S)-1-phenylethyl]propanamide has a molecular weight of 408.55 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-[2-(4-methylanilino)-2-oxoethyl]piperazin-1-yl]-N-[(1S)-1-phenylethyl]propanamide is sourced from PubChem (CID 30723875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).