N-tert-butyl-2-[4-[[4-(2-cyanophenyl)phenyl]methyl]piperazin-1-yl]acetamide

C24H30N4O — CID 30723964

IUPACN-tert-butyl-2-[4-[[4-(2-cyanophenyl)phenyl]methyl]piperazin-1-yl]acetamide
SMILESCC(C)(C)NC(=O)CN1CCN(Cc2ccc(-c3ccccc3C#N)cc2)CC1
InChIInChI=1S/C24H30N4O/c1-24(2,3)26-23(29)18-28-14-12-27(13-15-28)17-19-8-10-20(11-9-19)22-7-5-4-6-21(22)16-25/h4-11H,12-15,17-18H2,1-3H3,(H,26,29)
InChIKeyWTYUUHVETCPCOO-UHFFFAOYSA-N
MW390.53 g/mol
LogP3.26
Rot. Bonds5

About N-tert-butyl-2-[4-[[4-(2-cyanophenyl)phenyl]methyl]piperazin-1-yl]acetamide

N-tert-butyl-2-[4-[[4-(2-cyanophenyl)phenyl]methyl]piperazin-1-yl]acetamide (PubChem CID 30723964) has the molecular formula C24H30N4O and a molecular weight of 390.53 g/mol. Its IUPAC name is N-tert-butyl-2-[4-[[4-(2-cyanophenyl)phenyl]methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[4-[[4-(2-cyanophenyl)phenyl]methyl]piperazin-1-yl]acetamide
PubChem CID30723964
Molecular FormulaC24H30N4O
Molecular Weight390.53 g/mol
Exact Mass390.24
IUPAC NameN-tert-butyl-2-[4-[[4-(2-cyanophenyl)phenyl]methyl]piperazin-1-yl]acetamide
SMILESCC(C)(C)NC(=O)CN1CCN(Cc2ccc(-c3ccccc3C#N)cc2)CC1
InChIInChI=1S/C24H30N4O/c1-24(2,3)26-23(29)18-28-14-12-27(13-15-28)17-19-8-10-20(11-9-19)22-7-5-4-6-21(22)16-25/h4-11H,12-15,17-18H2,1-3H3,(H,26,29)
InChIKeyWTYUUHVETCPCOO-UHFFFAOYSA-N
XLogP3.26
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[4-[[4-(2-cyanophenyl)phenyl]methyl]piperazin-1-yl]acetamide?
The IUPAC name of N-tert-butyl-2-[4-[[4-(2-cyanophenyl)phenyl]methyl]piperazin-1-yl]acetamide (CID 30723964) is N-tert-butyl-2-[4-[[4-(2-cyanophenyl)phenyl]methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-tert-butyl-2-[4-[[4-(2-cyanophenyl)phenyl]methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-tert-butyl-2-[4-[[4-(2-cyanophenyl)phenyl]methyl]piperazin-1-yl]acetamide is CC(C)(C)NC(=O)CN1CCN(Cc2ccc(-c3ccccc3C#N)cc2)CC1.
What is the InChIKey of N-tert-butyl-2-[4-[[4-(2-cyanophenyl)phenyl]methyl]piperazin-1-yl]acetamide?
The InChIKey is WTYUUHVETCPCOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O/c1-24(2,3)26-23(29)18-28-14-12-27(13-15-28)17-19-8-10-20(11-9-19)22-7-5-4-6-21(22)16-25/h4-11H,12-15,17-18H2,1-3H3,(H,26,29).
What are the key properties of N-tert-butyl-2-[4-[[4-(2-cyanophenyl)phenyl]methyl]piperazin-1-yl]acetamide?
N-tert-butyl-2-[4-[[4-(2-cyanophenyl)phenyl]methyl]piperazin-1-yl]acetamide has a molecular weight of 390.53 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[4-[[4-(2-cyanophenyl)phenyl]methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 30723964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).