N-[2-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]ethyl]-3,4-dimethylbenzamide

C24H31N3O2 — CID 4106803

IUPACN-[2-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]ethyl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCCN2CCN(C(=O)c3ccc(C)c(C)c3)CC2)cc1C
InChIInChI=1S/C24H31N3O2/c1-17-5-7-21(15-19(17)3)23(28)25-9-10-26-11-13-27(14-12-26)24(29)22-8-6-18(2)20(4)16-22/h5-8,15-16H,9-14H2,1-4H3,(H,25,28)
InChIKeyJXSHFDYQMWQMOX-UHFFFAOYSA-N
MW393.53 g/mol
LogP3.11
Rot. Bonds5

About N-[2-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]ethyl]-3,4-dimethylbenzamide

N-[2-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]ethyl]-3,4-dimethylbenzamide (PubChem CID 4106803) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is N-[2-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]ethyl]-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]ethyl]-3,4-dimethylbenzamide
PubChem CID4106803
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC NameN-[2-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]ethyl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCCN2CCN(C(=O)c3ccc(C)c(C)c3)CC2)cc1C
InChIInChI=1S/C24H31N3O2/c1-17-5-7-21(15-19(17)3)23(28)25-9-10-26-11-13-27(14-12-26)24(29)22-8-6-18(2)20(4)16-22/h5-8,15-16H,9-14H2,1-4H3,(H,25,28)
InChIKeyJXSHFDYQMWQMOX-UHFFFAOYSA-N
XLogP3.11
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]ethyl]-3,4-dimethylbenzamide?
The IUPAC name of N-[2-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]ethyl]-3,4-dimethylbenzamide (CID 4106803) is N-[2-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]ethyl]-3,4-dimethylbenzamide.
What is the SMILES notation for N-[2-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]ethyl]-3,4-dimethylbenzamide?
The canonical SMILES for N-[2-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]ethyl]-3,4-dimethylbenzamide is Cc1ccc(C(=O)NCCN2CCN(C(=O)c3ccc(C)c(C)c3)CC2)cc1C.
What is the InChIKey of N-[2-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]ethyl]-3,4-dimethylbenzamide?
The InChIKey is JXSHFDYQMWQMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-17-5-7-21(15-19(17)3)23(28)25-9-10-26-11-13-27(14-12-26)24(29)22-8-6-18(2)20(4)16-22/h5-8,15-16H,9-14H2,1-4H3,(H,25,28).
What are the key properties of N-[2-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]ethyl]-3,4-dimethylbenzamide?
N-[2-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]ethyl]-3,4-dimethylbenzamide has a molecular weight of 393.53 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]ethyl]-3,4-dimethylbenzamide is sourced from PubChem (CID 4106803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).