methyl N-[(2R)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propanoyl]carbamate

C19H29N3O6 — CID 9127899

IUPACmethyl N-[(2R)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propanoyl]carbamate
SMILESCOC(=O)NC(=O)[C@@H](C)N1CCN(Cc2ccc(OC)c(OC)c2OC)CC1
InChIInChI=1S/C19H29N3O6/c1-13(18(23)20-19(24)28-5)22-10-8-21(9-11-22)12-14-6-7-15(25-2)17(27-4)16(14)26-3/h6-7,13H,8-12H2,1-5H3,(H,20,23,24)/t13-/m1/s1
InChIKeyTWYFWEZXCZTUFT-CYBMUJFWSA-N
MW395.46 g/mol
LogP1.10
Rot. Bonds7

About methyl N-[(2R)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propanoyl]carbamate

methyl N-[(2R)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propanoyl]carbamate (PubChem CID 9127899) has the molecular formula C19H29N3O6 and a molecular weight of 395.46 g/mol. Its IUPAC name is methyl N-[(2R)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propanoyl]carbamate.

Molecular Properties

Compound Namemethyl N-[(2R)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propanoyl]carbamate
PubChem CID9127899
Molecular FormulaC19H29N3O6
Molecular Weight395.46 g/mol
Exact Mass395.21
IUPAC Namemethyl N-[(2R)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propanoyl]carbamate
SMILESCOC(=O)NC(=O)[C@@H](C)N1CCN(Cc2ccc(OC)c(OC)c2OC)CC1
InChIInChI=1S/C19H29N3O6/c1-13(18(23)20-19(24)28-5)22-10-8-21(9-11-22)12-14-6-7-15(25-2)17(27-4)16(14)26-3/h6-7,13H,8-12H2,1-5H3,(H,20,23,24)/t13-/m1/s1
InChIKeyTWYFWEZXCZTUFT-CYBMUJFWSA-N
XLogP1.10
TPSA89.57 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl N-[(2R)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propanoyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-(methylcarbamoyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propanamide
CID 9127707
(2S)-N-benzyl-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propanamide
CID 9127696
(2R)-N-(3-methylphenyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propanamide
CID 9127732
(2R)-1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propan-1-one
CID 9127748
1-[(2S)-butan-2-yl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 787037
1-[(2S)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propanoyl]imidazolidin-2-one
CID 9127914
1-[(2R)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propanoyl]imidazolidin-2-one
CID 9127916
N-(propan-2-ylcarbamoyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9127737
1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propan-2-ol;dihydrochloride
CID 3049530
3-methyl-1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]butan-1-one
CID 1203196
N-(tert-butylcarbamoyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9127677
1-[(2,3,4-trimethoxyphenyl)methyl]azepane
CID 23736534

Frequently Asked Questions

What is the IUPAC name of methyl N-[(2R)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propanoyl]carbamate?
The IUPAC name of methyl N-[(2R)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propanoyl]carbamate (CID 9127899) is methyl N-[(2R)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propanoyl]carbamate.
What is the SMILES notation for methyl N-[(2R)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propanoyl]carbamate?
The canonical SMILES for methyl N-[(2R)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propanoyl]carbamate is COC(=O)NC(=O)[C@@H](C)N1CCN(Cc2ccc(OC)c(OC)c2OC)CC1.
What is the InChIKey of methyl N-[(2R)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propanoyl]carbamate?
The InChIKey is TWYFWEZXCZTUFT-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H29N3O6/c1-13(18(23)20-19(24)28-5)22-10-8-21(9-11-22)12-14-6-7-15(25-2)17(27-4)16(14)26-3/h6-7,13H,8-12H2,1-5H3,(H,20,23,24)/t13-/m1/s1.
What are the key properties of methyl N-[(2R)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propanoyl]carbamate?
methyl N-[(2R)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propanoyl]carbamate has a molecular weight of 395.46 g/mol, XLogP of 1.10, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(2R)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propanoyl]carbamate is sourced from PubChem (CID 9127899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).