2-[4-[2-cyano-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]piperazin-1-yl]-N,N-diethyl-2-phenylacetamide

C28H34N6O2 — CID 42628839

IUPAC2-[4-[2-cyano-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]piperazin-1-yl]-N,N-diethyl-2-phenylacetamide
SMILESCCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(-c3nc(C(C)C)no3)cc2C#N)CC1
InChIInChI=1S/C28H34N6O2/c1-5-32(6-2)28(35)25(21-10-8-7-9-11-21)34-16-14-33(15-17-34)24-13-12-22(18-23(24)19-29)27-30-26(20(3)4)31-36-27/h7-13,18,20,25H,5-6,14-17H2,1-4H3
InChIKeyQDVWBTPNXFKJMX-UHFFFAOYSA-N
MW486.62 g/mol
LogP4.46
Rot. Bonds8

About 2-[4-[2-cyano-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]piperazin-1-yl]-N,N-diethyl-2-phenylacetamide

2-[4-[2-cyano-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]piperazin-1-yl]-N,N-diethyl-2-phenylacetamide (PubChem CID 42628839) has the molecular formula C28H34N6O2 and a molecular weight of 486.62 g/mol. Its IUPAC name is 2-[4-[2-cyano-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]piperazin-1-yl]-N,N-diethyl-2-phenylacetamide.

Molecular Properties

Compound Name2-[4-[2-cyano-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]piperazin-1-yl]-N,N-diethyl-2-phenylacetamide
PubChem CID42628839
Molecular FormulaC28H34N6O2
Molecular Weight486.62 g/mol
Exact Mass486.27
IUPAC Name2-[4-[2-cyano-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]piperazin-1-yl]-N,N-diethyl-2-phenylacetamide
SMILESCCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(-c3nc(C(C)C)no3)cc2C#N)CC1
InChIInChI=1S/C28H34N6O2/c1-5-32(6-2)28(35)25(21-10-8-7-9-11-21)34-16-14-33(15-17-34)24-13-12-22(18-23(24)19-29)27-30-26(20(3)4)31-36-27/h7-13,18,20,25H,5-6,14-17H2,1-4H3
InChIKeyQDVWBTPNXFKJMX-UHFFFAOYSA-N
XLogP4.46
TPSA89.50 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.62
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-cyano-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]piperazin-1-yl]-N,N-diethyl-2-phenylacetamide?
The IUPAC name of 2-[4-[2-cyano-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]piperazin-1-yl]-N,N-diethyl-2-phenylacetamide (CID 42628839) is 2-[4-[2-cyano-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]piperazin-1-yl]-N,N-diethyl-2-phenylacetamide.
What is the SMILES notation for 2-[4-[2-cyano-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]piperazin-1-yl]-N,N-diethyl-2-phenylacetamide?
The canonical SMILES for 2-[4-[2-cyano-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]piperazin-1-yl]-N,N-diethyl-2-phenylacetamide is CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(-c3nc(C(C)C)no3)cc2C#N)CC1.
What is the InChIKey of 2-[4-[2-cyano-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]piperazin-1-yl]-N,N-diethyl-2-phenylacetamide?
The InChIKey is QDVWBTPNXFKJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N6O2/c1-5-32(6-2)28(35)25(21-10-8-7-9-11-21)34-16-14-33(15-17-34)24-13-12-22(18-23(24)19-29)27-30-26(20(3)4)31-36-27/h7-13,18,20,25H,5-6,14-17H2,1-4H3.
What are the key properties of 2-[4-[2-cyano-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]piperazin-1-yl]-N,N-diethyl-2-phenylacetamide?
2-[4-[2-cyano-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]piperazin-1-yl]-N,N-diethyl-2-phenylacetamide has a molecular weight of 486.62 g/mol, XLogP of 4.46, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-cyano-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]piperazin-1-yl]-N,N-diethyl-2-phenylacetamide is sourced from PubChem (CID 42628839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).