(2S)-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]-N,N-dimethylpropanamide

C18H29N3O2 — CID 8997651

IUPAC(2S)-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]-N,N-dimethylpropanamide
SMILESCOc1ccc(C)cc1CN1CCN([C@@H](C)C(=O)N(C)C)CC1
InChIInChI=1S/C18H29N3O2/c1-14-6-7-17(23-5)16(12-14)13-20-8-10-21(11-9-20)15(2)18(22)19(3)4/h6-7,12,15H,8-11,13H2,1-5H3/t15-/m0/s1
InChIKeyCAPKBBSYYJKELD-HNNXBMFYSA-N
MW319.45 g/mol
LogP1.60
Rot. Bonds5

About (2S)-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]-N,N-dimethylpropanamide

(2S)-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]-N,N-dimethylpropanamide (PubChem CID 8997651) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is (2S)-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name(2S)-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]-N,N-dimethylpropanamide
PubChem CID8997651
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name(2S)-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]-N,N-dimethylpropanamide
SMILESCOc1ccc(C)cc1CN1CCN([C@@H](C)C(=O)N(C)C)CC1
InChIInChI=1S/C18H29N3O2/c1-14-6-7-17(23-5)16(12-14)13-20-8-10-21(11-9-20)15(2)18(22)19(3)4/h6-7,12,15H,8-11,13H2,1-5H3/t15-/m0/s1
InChIKeyCAPKBBSYYJKELD-HNNXBMFYSA-N
XLogP1.60
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-ethyl-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]propanamide
CID 8997732
(2S)-N-cyclopentyl-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]propanamide
CID 8997511
(2S)-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]-N-(2-methoxyphenyl)propanamide
CID 8997506
2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]propanenitrile
CID 60673434
2-[4-[(5-bromo-2-methoxyphenyl)methyl]piperazin-1-yl]propanoic acid
CID 62311881
2-(4-fluorophenyl)-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 43041193
1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-ol
CID 47010589
(2S)-N-ethyl-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-N-phenylpropanamide
CID 8971994
ethane;1-[(2-methoxy-5-methylphenyl)methyl]-4-methylpiperazine
CID 144540102
N-[(1S)-1-cyclopropylethyl]-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 8997868
(2R)-1-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one
CID 95126734
4-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]butan-1-amine
CID 62154973

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]-N,N-dimethylpropanamide?
The IUPAC name of (2S)-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]-N,N-dimethylpropanamide (CID 8997651) is (2S)-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]-N,N-dimethylpropanamide.
What is the SMILES notation for (2S)-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]-N,N-dimethylpropanamide?
The canonical SMILES for (2S)-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]-N,N-dimethylpropanamide is COc1ccc(C)cc1CN1CCN([C@@H](C)C(=O)N(C)C)CC1.
What is the InChIKey of (2S)-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]-N,N-dimethylpropanamide?
The InChIKey is CAPKBBSYYJKELD-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-14-6-7-17(23-5)16(12-14)13-20-8-10-21(11-9-20)15(2)18(22)19(3)4/h6-7,12,15H,8-11,13H2,1-5H3/t15-/m0/s1.
What are the key properties of (2S)-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]-N,N-dimethylpropanamide?
(2S)-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]-N,N-dimethylpropanamide has a molecular weight of 319.45 g/mol, XLogP of 1.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]-N,N-dimethylpropanamide is sourced from PubChem (CID 8997651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).