(2R)-N-benzyl-N-methyl-2-[4-[2-(4-methylanilino)-2-oxoethyl]piperazin-1-yl]propanamide

C24H32N4O2 — CID 30738921

IUPAC(2R)-N-benzyl-N-methyl-2-[4-[2-(4-methylanilino)-2-oxoethyl]piperazin-1-yl]propanamide
SMILESCc1ccc(NC(=O)CN2CCN([C@H](C)C(=O)N(C)Cc3ccccc3)CC2)cc1
InChIInChI=1S/C24H32N4O2/c1-19-9-11-22(12-10-19)25-23(29)18-27-13-15-28(16-14-27)20(2)24(30)26(3)17-21-7-5-4-6-8-21/h4-12,20H,13-18H2,1-3H3,(H,25,29)/t20-/m1/s1
InChIKeyVJRAIPHULKICAJ-HXUWFJFHSA-N
MW408.55 g/mol
LogP2.60
Rot. Bonds7

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

(2R)-N-benzyl-N-methyl-2-[4-[2-(4-methylanilino)-2-oxoethyl]piperazin-1-yl]propanamide (PubChem CID 30738921) has the molecular formula C24H32N4O2 and a molecular weight of 408.55 g/mol. Its IUPAC name is (2R)-N-benzyl-N-methyl-2-[4-[2-(4-methylanilino)-2-oxoethyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-benzyl-N-methyl-2-[4-[2-(4-methylanilino)-2-oxoethyl]piperazin-1-yl]propanamide
PubChem CID30738921
Molecular FormulaC24H32N4O2
Molecular Weight408.55 g/mol
Exact Mass408.25
IUPAC Name(2R)-N-benzyl-N-methyl-2-[4-[2-(4-methylanilino)-2-oxoethyl]piperazin-1-yl]propanamide
SMILESCc1ccc(NC(=O)CN2CCN([C@H](C)C(=O)N(C)Cc3ccccc3)CC2)cc1
InChIInChI=1S/C24H32N4O2/c1-19-9-11-22(12-10-19)25-23(29)18-27-13-15-28(16-14-27)20(2)24(30)26(3)17-21-7-5-4-6-8-21/h4-12,20H,13-18H2,1-3H3,(H,25,29)/t20-/m1/s1
InChIKeyVJRAIPHULKICAJ-HXUWFJFHSA-N
XLogP2.60
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-benzyl-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-N-methylpropanamide
CID 95610823
(2R)-2-[4-[2-(4-methylanilino)-2-oxoethyl]piperazin-1-yl]-N-[(1S)-1-phenylethyl]propanamide
CID 30723875
(2R)-2-[4-[2-(4-methylanilino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 51631928
2-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]propanoic acid
CID 62310082
N-(4-methylphenyl)-2-[4-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]piperazin-1-yl]acetamide
CID 30722668
N-benzyl-N-methyl-2-(4-phenylpiperazin-1-yl)propanamide
CID 42858943
(2R)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-piperidin-1-ylpropanamide
CID 8894647
2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide
CID 17494408
N-benzyl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methylpropanamide
CID 46056009
N-(4-methylphenyl)-2-[4-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]piperazin-1-yl]acetamide
CID 30722810
2-[4-(2-chlorophenyl)piperazin-1-yl]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide
CID 17484909
N-benzyl-N-methyl-2-(4-sulfamoylpiperazin-1-yl)propanamide
CID 86919646

Frequently Asked Questions

What is the IUPAC name of (2R)-N-benzyl-N-methyl-2-[4-[2-(4-methylanilino)-2-oxoethyl]piperazin-1-yl]propanamide?
The IUPAC name of (2R)-N-benzyl-N-methyl-2-[4-[2-(4-methylanilino)-2-oxoethyl]piperazin-1-yl]propanamide (CID 30738921) is (2R)-N-benzyl-N-methyl-2-[4-[2-(4-methylanilino)-2-oxoethyl]piperazin-1-yl]propanamide.
What is the SMILES notation for (2R)-N-benzyl-N-methyl-2-[4-[2-(4-methylanilino)-2-oxoethyl]piperazin-1-yl]propanamide?
The canonical SMILES for (2R)-N-benzyl-N-methyl-2-[4-[2-(4-methylanilino)-2-oxoethyl]piperazin-1-yl]propanamide is Cc1ccc(NC(=O)CN2CCN([C@H](C)C(=O)N(C)Cc3ccccc3)CC2)cc1.
What is the InChIKey of (2R)-N-benzyl-N-methyl-2-[4-[2-(4-methylanilino)-2-oxoethyl]piperazin-1-yl]propanamide?
The InChIKey is VJRAIPHULKICAJ-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H32N4O2/c1-19-9-11-22(12-10-19)25-23(29)18-27-13-15-28(16-14-27)20(2)24(30)26(3)17-21-7-5-4-6-8-21/h4-12,20H,13-18H2,1-3H3,(H,25,29)/t20-/m1/s1.
What are the key properties of (2R)-N-benzyl-N-methyl-2-[4-[2-(4-methylanilino)-2-oxoethyl]piperazin-1-yl]propanamide?
(2R)-N-benzyl-N-methyl-2-[4-[2-(4-methylanilino)-2-oxoethyl]piperazin-1-yl]propanamide has a molecular weight of 408.55 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-benzyl-N-methyl-2-[4-[2-(4-methylanilino)-2-oxoethyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 30738921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).