N-(tert-butylcarbamoyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]acetamide

C21H34N4O5 — CID 9127677

IUPACN-(tert-butylcarbamoyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]acetamide
SMILESCOc1ccc(CN2CCN(CC(=O)NC(=O)NC(C)(C)C)CC2)c(OC)c1OC
InChIInChI=1S/C21H34N4O5/c1-21(2,3)23-20(27)22-17(26)14-25-11-9-24(10-12-25)13-15-7-8-16(28-4)19(30-6)18(15)29-5/h7-8H,9-14H2,1-6H3,(H2,22,23,26,27)
InChIKeyVJSRPLWFJYBPQX-UHFFFAOYSA-N
MW422.53 g/mol
LogP1.45
Rot. Bonds7

About N-(tert-butylcarbamoyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]acetamide

N-(tert-butylcarbamoyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]acetamide (PubChem CID 9127677) has the molecular formula C21H34N4O5 and a molecular weight of 422.53 g/mol. Its IUPAC name is N-(tert-butylcarbamoyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(tert-butylcarbamoyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]acetamide
PubChem CID9127677
Molecular FormulaC21H34N4O5
Molecular Weight422.53 g/mol
Exact Mass422.25
IUPAC NameN-(tert-butylcarbamoyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]acetamide
SMILESCOc1ccc(CN2CCN(CC(=O)NC(=O)NC(C)(C)C)CC2)c(OC)c1OC
InChIInChI=1S/C21H34N4O5/c1-21(2,3)23-20(27)22-17(26)14-25-11-9-24(10-12-25)13-15-7-8-16(28-4)19(30-6)18(15)29-5/h7-8H,9-14H2,1-6H3,(H2,22,23,26,27)
InChIKeyVJSRPLWFJYBPQX-UHFFFAOYSA-N
XLogP1.45
TPSA92.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(propan-2-ylcarbamoyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9127737
tert-butyl 2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]acetate
CID 9127701
N-(1-cyanocyclopentyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9127803
(2S)-N-(methylcarbamoyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propanamide
CID 9127707
methyl N-[(2R)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propanoyl]carbamate
CID 9127899
N-(tert-butylcarbamoyl)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]acetamide
CID 9113409
N-(4-methoxyphenyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carboxamide
CID 24745617
1-[(2,3,4-trimethoxyphenyl)methyl]azepane
CID 23736534
(4-fluorophenyl)-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 1131721
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(tert-butylcarbamoyl)acetamide
CID 2697732
N-[[(2S)-butan-2-yl]carbamoyl]-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9436434
1-propyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 51073742

Frequently Asked Questions

What is the IUPAC name of N-(tert-butylcarbamoyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(tert-butylcarbamoyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]acetamide (CID 9127677) is N-(tert-butylcarbamoyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(tert-butylcarbamoyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(tert-butylcarbamoyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]acetamide is COc1ccc(CN2CCN(CC(=O)NC(=O)NC(C)(C)C)CC2)c(OC)c1OC.
What is the InChIKey of N-(tert-butylcarbamoyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]acetamide?
The InChIKey is VJSRPLWFJYBPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O5/c1-21(2,3)23-20(27)22-17(26)14-25-11-9-24(10-12-25)13-15-7-8-16(28-4)19(30-6)18(15)29-5/h7-8H,9-14H2,1-6H3,(H2,22,23,26,27).
What are the key properties of N-(tert-butylcarbamoyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]acetamide?
N-(tert-butylcarbamoyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]acetamide has a molecular weight of 422.53 g/mol, XLogP of 1.45, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(tert-butylcarbamoyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 9127677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).