2-[4-[(2S)-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]piperazin-1-yl]-N-(4-methylphenyl)acetamide

C23H36N4O2 — CID 51731001

IUPAC2-[4-[(2S)-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]piperazin-1-yl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN2CCN([C@@H](C)C(=O)N3C[C@H](C)C[C@H](C)C3)CC2)cc1
InChIInChI=1S/C23H36N4O2/c1-17-5-7-21(8-6-17)24-22(28)16-25-9-11-26(12-10-25)20(4)23(29)27-14-18(2)13-19(3)15-27/h5-8,18-20H,9-16H2,1-4H3,(H,24,28)/t18-,19+,20-/m0/s1
InChIKeyKNMNPHWAXTZLMF-ZCNNSNEGSA-N
MW400.57 g/mol
LogP2.44
Rot. Bonds5

About 2-[4-[(2S)-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]piperazin-1-yl]-N-(4-methylphenyl)acetamide

2-[4-[(2S)-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]piperazin-1-yl]-N-(4-methylphenyl)acetamide (PubChem CID 51731001) has the molecular formula C23H36N4O2 and a molecular weight of 400.57 g/mol. Its IUPAC name is 2-[4-[(2S)-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]piperazin-1-yl]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[(2S)-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]piperazin-1-yl]-N-(4-methylphenyl)acetamide
PubChem CID51731001
Molecular FormulaC23H36N4O2
Molecular Weight400.57 g/mol
Exact Mass400.28
IUPAC Name2-[4-[(2S)-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]piperazin-1-yl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN2CCN([C@@H](C)C(=O)N3C[C@H](C)C[C@H](C)C3)CC2)cc1
InChIInChI=1S/C23H36N4O2/c1-17-5-7-21(8-6-17)24-22(28)16-25-9-11-26(12-10-25)20(4)23(29)27-14-18(2)13-19(3)15-27/h5-8,18-20H,9-16H2,1-4H3,(H,24,28)/t18-,19+,20-/m0/s1
InChIKeyKNMNPHWAXTZLMF-ZCNNSNEGSA-N
XLogP2.44
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.57
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 9435978
N-(4-methylphenyl)-2-[4-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]piperazin-1-yl]acetamide
CID 30722810
N-(2,3-dimethylphenyl)-2-[4-[(2S)-1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]piperazin-1-yl]acetamide
CID 9435295
2-[4-[(2S)-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 51887236
(2R)-2-[4-[2-(4-methylanilino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 51631928
2-[4-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]piperazin-1-yl]-N-phenylacetamide
CID 31691823
(2S)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-(4-methylphenyl)propanamide
CID 30739585
N-(4-chlorophenyl)-2-[4-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
CID 31045343
(2S)-2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-fluorophenyl)propanamide
CID 9435992
2-(4-acetylpiperazin-1-yl)-N-(4-methylphenyl)acetamide
CID 2697560
(2R)-2-[4-[2-(4-methylanilino)-2-oxoethyl]piperazin-1-yl]-N-[(1S)-1-phenylethyl]propanamide
CID 30723875
N-(3,5-dimethylphenyl)-2-[4-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
CID 30736284

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2S)-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]piperazin-1-yl]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[4-[(2S)-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]piperazin-1-yl]-N-(4-methylphenyl)acetamide (CID 51731001) is 2-[4-[(2S)-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]piperazin-1-yl]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-[(2S)-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]piperazin-1-yl]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[4-[(2S)-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]piperazin-1-yl]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CN2CCN([C@@H](C)C(=O)N3C[C@H](C)C[C@H](C)C3)CC2)cc1.
What is the InChIKey of 2-[4-[(2S)-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]piperazin-1-yl]-N-(4-methylphenyl)acetamide?
The InChIKey is KNMNPHWAXTZLMF-ZCNNSNEGSA-N. The full InChI is InChI=1S/C23H36N4O2/c1-17-5-7-21(8-6-17)24-22(28)16-25-9-11-26(12-10-25)20(4)23(29)27-14-18(2)13-19(3)15-27/h5-8,18-20H,9-16H2,1-4H3,(H,24,28)/t18-,19+,20-/m0/s1.
What are the key properties of 2-[4-[(2S)-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]piperazin-1-yl]-N-(4-methylphenyl)acetamide?
2-[4-[(2S)-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]piperazin-1-yl]-N-(4-methylphenyl)acetamide has a molecular weight of 400.57 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2S)-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]piperazin-1-yl]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 51731001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).