5-[[4-(6-cyanocyclohexa-1,5-dien-1-yl)-2-methylpiperazin-1-yl]methyl]-N,N,2,4-tetramethylbenzamide

C24H32N4O — CID 142348993

IUPAC5-[[4-(6-cyanocyclohexa-1,5-dien-1-yl)-2-methylpiperazin-1-yl]methyl]-N,N,2,4-tetramethylbenzamide
SMILESCc1cc(C)c(C(=O)N(C)C)cc1CN1CCN(C2=CCCC=C2C#N)CC1C
InChIInChI=1S/C24H32N4O/c1-17-12-18(2)22(24(29)26(4)5)13-21(17)16-27-10-11-28(15-19(27)3)23-9-7-6-8-20(23)14-25/h8-9,12-13,19H,6-7,10-11,15-16H2,1-5H3
InChIKeyBJYCNFNJXUHXFH-UHFFFAOYSA-N
MW392.55 g/mol
LogP3.64
Rot. Bonds4

About 5-[[4-(6-cyanocyclohexa-1,5-dien-1-yl)-2-methylpiperazin-1-yl]methyl]-N,N,2,4-tetramethylbenzamide

5-[[4-(6-cyanocyclohexa-1,5-dien-1-yl)-2-methylpiperazin-1-yl]methyl]-N,N,2,4-tetramethylbenzamide (PubChem CID 142348993) has the molecular formula C24H32N4O and a molecular weight of 392.55 g/mol. Its IUPAC name is 5-[[4-(6-cyanocyclohexa-1,5-dien-1-yl)-2-methylpiperazin-1-yl]methyl]-N,N,2,4-tetramethylbenzamide.

Molecular Properties

Compound Name5-[[4-(6-cyanocyclohexa-1,5-dien-1-yl)-2-methylpiperazin-1-yl]methyl]-N,N,2,4-tetramethylbenzamide
PubChem CID142348993
Molecular FormulaC24H32N4O
Molecular Weight392.55 g/mol
Exact Mass392.26
IUPAC Name5-[[4-(6-cyanocyclohexa-1,5-dien-1-yl)-2-methylpiperazin-1-yl]methyl]-N,N,2,4-tetramethylbenzamide
SMILESCc1cc(C)c(C(=O)N(C)C)cc1CN1CCN(C2=CCCC=C2C#N)CC1C
InChIInChI=1S/C24H32N4O/c1-17-12-18(2)22(24(29)26(4)5)13-21(17)16-27-10-11-28(15-19(27)3)23-9-7-6-8-20(23)14-25/h8-9,12-13,19H,6-7,10-11,15-16H2,1-5H3
InChIKeyBJYCNFNJXUHXFH-UHFFFAOYSA-N
XLogP3.64
TPSA50.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.55
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(6-cyanocyclohexa-1,5-dien-1-yl)-2-methylpiperazin-1-yl]methyl]-N,N,2,4-tetramethylbenzamide?
The IUPAC name of 5-[[4-(6-cyanocyclohexa-1,5-dien-1-yl)-2-methylpiperazin-1-yl]methyl]-N,N,2,4-tetramethylbenzamide (CID 142348993) is 5-[[4-(6-cyanocyclohexa-1,5-dien-1-yl)-2-methylpiperazin-1-yl]methyl]-N,N,2,4-tetramethylbenzamide.
What is the SMILES notation for 5-[[4-(6-cyanocyclohexa-1,5-dien-1-yl)-2-methylpiperazin-1-yl]methyl]-N,N,2,4-tetramethylbenzamide?
The canonical SMILES for 5-[[4-(6-cyanocyclohexa-1,5-dien-1-yl)-2-methylpiperazin-1-yl]methyl]-N,N,2,4-tetramethylbenzamide is Cc1cc(C)c(C(=O)N(C)C)cc1CN1CCN(C2=CCCC=C2C#N)CC1C.
What is the InChIKey of 5-[[4-(6-cyanocyclohexa-1,5-dien-1-yl)-2-methylpiperazin-1-yl]methyl]-N,N,2,4-tetramethylbenzamide?
The InChIKey is BJYCNFNJXUHXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O/c1-17-12-18(2)22(24(29)26(4)5)13-21(17)16-27-10-11-28(15-19(27)3)23-9-7-6-8-20(23)14-25/h8-9,12-13,19H,6-7,10-11,15-16H2,1-5H3.
What are the key properties of 5-[[4-(6-cyanocyclohexa-1,5-dien-1-yl)-2-methylpiperazin-1-yl]methyl]-N,N,2,4-tetramethylbenzamide?
5-[[4-(6-cyanocyclohexa-1,5-dien-1-yl)-2-methylpiperazin-1-yl]methyl]-N,N,2,4-tetramethylbenzamide has a molecular weight of 392.55 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(6-cyanocyclohexa-1,5-dien-1-yl)-2-methylpiperazin-1-yl]methyl]-N,N,2,4-tetramethylbenzamide is sourced from PubChem (CID 142348993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).