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

C20H32N4O5 — CID 9127737

IUPACN-(propan-2-ylcarbamoyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]acetamide
SMILESCOc1ccc(CN2CCN(CC(=O)NC(=O)NC(C)C)CC2)c(OC)c1OC
InChIInChI=1S/C20H32N4O5/c1-14(2)21-20(26)22-17(25)13-24-10-8-23(9-11-24)12-15-6-7-16(27-3)19(29-5)18(15)28-4/h6-7,14H,8-13H2,1-5H3,(H2,21,22,25,26)
InChIKeyBRDLEKVEHNRDKS-UHFFFAOYSA-N
MW408.50 g/mol
LogP1.06
Rot. Bonds8

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

N-(propan-2-ylcarbamoyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]acetamide (PubChem CID 9127737) has the molecular formula C20H32N4O5 and a molecular weight of 408.50 g/mol. Its IUPAC name is N-(propan-2-ylcarbamoyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(propan-2-ylcarbamoyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]acetamide
PubChem CID9127737
Molecular FormulaC20H32N4O5
Molecular Weight408.50 g/mol
Exact Mass408.24
IUPAC NameN-(propan-2-ylcarbamoyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]acetamide
SMILESCOc1ccc(CN2CCN(CC(=O)NC(=O)NC(C)C)CC2)c(OC)c1OC
InChIInChI=1S/C20H32N4O5/c1-14(2)21-20(26)22-17(25)13-24-10-8-23(9-11-24)12-15-6-7-16(27-3)19(29-5)18(15)28-4/h6-7,14H,8-13H2,1-5H3,(H2,21,22,25,26)
InChIKeyBRDLEKVEHNRDKS-UHFFFAOYSA-N
XLogP1.06
TPSA92.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(tert-butylcarbamoyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9127677
N-[[(2S)-butan-2-yl]carbamoyl]-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9436434
N-(1-cyanocyclopentyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9127803
oxalic acid;N-propan-2-yl-1-[(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxamide
CID 126469036
(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
1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propan-2-ol;dihydrochloride
CID 3049530
N-propan-2-yl-2-[(2,3,4-trimethoxyphenyl)methylamino]acetamide
CID 43400025
3-methyl-1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]butan-1-one
CID 1203196
tert-butyl 2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]acetate
CID 9127701
1-[(2,3,4-trimethoxyphenyl)methyl]azepane
CID 23736534
[(2S,3S)-3-methyl-1-oxo-1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]pentan-2-yl]urea
CID 9069747

Frequently Asked Questions

What is the IUPAC name of N-(propan-2-ylcarbamoyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(propan-2-ylcarbamoyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]acetamide (CID 9127737) is N-(propan-2-ylcarbamoyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(propan-2-ylcarbamoyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(propan-2-ylcarbamoyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]acetamide is COc1ccc(CN2CCN(CC(=O)NC(=O)NC(C)C)CC2)c(OC)c1OC.
What is the InChIKey of N-(propan-2-ylcarbamoyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]acetamide?
The InChIKey is BRDLEKVEHNRDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O5/c1-14(2)21-20(26)22-17(25)13-24-10-8-23(9-11-24)12-15-6-7-16(27-3)19(29-5)18(15)28-4/h6-7,14H,8-13H2,1-5H3,(H2,21,22,25,26).
What are the key properties of N-(propan-2-ylcarbamoyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]acetamide?
N-(propan-2-ylcarbamoyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]acetamide has a molecular weight of 408.50 g/mol, XLogP of 1.06, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(propan-2-ylcarbamoyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 9127737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).