N-[2-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]ethyl]-2,6-dimethoxybenzamide

C24H31N3O6 — CID 2931693

IUPACN-[2-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]ethyl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)NCCN1CCN(C(=O)c2c(OC)cccc2OC)CC1
InChIInChI=1S/C24H31N3O6/c1-30-17-7-5-8-18(31-2)21(17)23(28)25-11-12-26-13-15-27(16-14-26)24(29)22-19(32-3)9-6-10-20(22)33-4/h5-10H,11-16H2,1-4H3,(H,25,28)
InChIKeyISTZECZCSVJVBR-UHFFFAOYSA-N
MW457.53 g/mol
LogP1.91
Rot. Bonds9

About N-[2-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]ethyl]-2,6-dimethoxybenzamide

N-[2-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]ethyl]-2,6-dimethoxybenzamide (PubChem CID 2931693) has the molecular formula C24H31N3O6 and a molecular weight of 457.53 g/mol. Its IUPAC name is N-[2-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]ethyl]-2,6-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]ethyl]-2,6-dimethoxybenzamide
PubChem CID2931693
Molecular FormulaC24H31N3O6
Molecular Weight457.53 g/mol
Exact Mass457.22
IUPAC NameN-[2-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]ethyl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)NCCN1CCN(C(=O)c2c(OC)cccc2OC)CC1
InChIInChI=1S/C24H31N3O6/c1-30-17-7-5-8-18(31-2)21(17)23(28)25-11-12-26-13-15-27(16-14-26)24(29)22-19(32-3)9-6-10-20(22)33-4/h5-10H,11-16H2,1-4H3,(H,25,28)
InChIKeyISTZECZCSVJVBR-UHFFFAOYSA-N
XLogP1.91
TPSA89.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]ethyl]-2,6-dimethoxybenzamide?
The IUPAC name of N-[2-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]ethyl]-2,6-dimethoxybenzamide (CID 2931693) is N-[2-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]ethyl]-2,6-dimethoxybenzamide.
What is the SMILES notation for N-[2-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]ethyl]-2,6-dimethoxybenzamide?
The canonical SMILES for N-[2-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]ethyl]-2,6-dimethoxybenzamide is COc1cccc(OC)c1C(=O)NCCN1CCN(C(=O)c2c(OC)cccc2OC)CC1.
What is the InChIKey of N-[2-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]ethyl]-2,6-dimethoxybenzamide?
The InChIKey is ISTZECZCSVJVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O6/c1-30-17-7-5-8-18(31-2)21(17)23(28)25-11-12-26-13-15-27(16-14-26)24(29)22-19(32-3)9-6-10-20(22)33-4/h5-10H,11-16H2,1-4H3,(H,25,28).
What are the key properties of N-[2-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]ethyl]-2,6-dimethoxybenzamide?
N-[2-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]ethyl]-2,6-dimethoxybenzamide has a molecular weight of 457.53 g/mol, XLogP of 1.91, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]ethyl]-2,6-dimethoxybenzamide is sourced from PubChem (CID 2931693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).