N-methyl-2-[4-[2-[[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetyl]piperazin-1-yl]acetamide

C22H36N4O2 — CID 8923687

IUPACN-methyl-2-[4-[2-[[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetyl]piperazin-1-yl]acetamide
SMILESCNC(=O)CN1CCN(C(=O)CN[C@@H](c2ccc(C(C)C)cc2)C(C)C)CC1
InChIInChI=1S/C22H36N4O2/c1-16(2)18-6-8-19(9-7-18)22(17(3)4)24-14-21(28)26-12-10-25(11-13-26)15-20(27)23-5/h6-9,16-17,22,24H,10-15H2,1-5H3,(H,23,27)/t22-/m1/s1
InChIKeyXAQSSZLVKGPRPT-JOCHJYFZSA-N
MW388.56 g/mol
LogP1.99
Rot. Bonds8

About N-methyl-2-[4-[2-[[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetyl]piperazin-1-yl]acetamide

N-methyl-2-[4-[2-[[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetyl]piperazin-1-yl]acetamide (PubChem CID 8923687) has the molecular formula C22H36N4O2 and a molecular weight of 388.56 g/mol. Its IUPAC name is N-methyl-2-[4-[2-[[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[4-[2-[[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetyl]piperazin-1-yl]acetamide
PubChem CID8923687
Molecular FormulaC22H36N4O2
Molecular Weight388.56 g/mol
Exact Mass388.28
IUPAC NameN-methyl-2-[4-[2-[[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetyl]piperazin-1-yl]acetamide
SMILESCNC(=O)CN1CCN(C(=O)CN[C@@H](c2ccc(C(C)C)cc2)C(C)C)CC1
InChIInChI=1S/C22H36N4O2/c1-16(2)18-6-8-19(9-7-18)22(17(3)4)24-14-21(28)26-12-10-25(11-13-26)15-20(27)23-5/h6-9,16-17,22,24H,10-15H2,1-5H3,(H,23,27)/t22-/m1/s1
InChIKeyXAQSSZLVKGPRPT-JOCHJYFZSA-N
XLogP1.99
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.56
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-[[(1R)-1-[4-[(2S)-butan-2-yl]phenyl]-2-methylpropyl]amino]acetyl]piperazin-1-yl]-N-methylacetamide
CID 8834464
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CID 8992613
2-(4-methylpiperazin-1-yl)-N-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide
CID 29230660
4-[2-(tert-butylamino)-2-oxoethyl]-N-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]piperazine-1-carboxamide
CID 51929849
2-[[1-(4-chlorophenyl)-2-methylpropyl]amino]-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 18150327
2-[4-[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 8636098
2-[4-[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]acetyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 8636105
(2R)-2-[4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]-N-(4-propan-2-ylphenyl)propanamide
CID 8774532
2-[4-[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetyl]piperazin-1-yl]-N-propylacetamide
CID 8636945
2-[4-[3-acetamido-3-(4-methylphenyl)propanoyl]piperazin-1-yl]-N-methylacetamide
CID 78805058
3,4-dichloro-N-[2-[4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]benzamide
CID 78803732
N-methyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide
CID 60641709

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-[2-[[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetyl]piperazin-1-yl]acetamide?
The IUPAC name of N-methyl-2-[4-[2-[[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetyl]piperazin-1-yl]acetamide (CID 8923687) is N-methyl-2-[4-[2-[[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-methyl-2-[4-[2-[[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-methyl-2-[4-[2-[[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetyl]piperazin-1-yl]acetamide is CNC(=O)CN1CCN(C(=O)CN[C@@H](c2ccc(C(C)C)cc2)C(C)C)CC1.
What is the InChIKey of N-methyl-2-[4-[2-[[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetyl]piperazin-1-yl]acetamide?
The InChIKey is XAQSSZLVKGPRPT-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H36N4O2/c1-16(2)18-6-8-19(9-7-18)22(17(3)4)24-14-21(28)26-12-10-25(11-13-26)15-20(27)23-5/h6-9,16-17,22,24H,10-15H2,1-5H3,(H,23,27)/t22-/m1/s1.
What are the key properties of N-methyl-2-[4-[2-[[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetyl]piperazin-1-yl]acetamide?
N-methyl-2-[4-[2-[[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetyl]piperazin-1-yl]acetamide has a molecular weight of 388.56 g/mol, XLogP of 1.99, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-[2-[[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 8923687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).