5-methyl-N-phenyl-2-propan-2-ylpiperazine-1-carboxamide

C15H23N3O — CID 82246231

IUPAC5-methyl-N-phenyl-2-propan-2-ylpiperazine-1-carboxamide
SMILESCC1CN(C(=O)Nc2ccccc2)C(C(C)C)CN1
InChIInChI=1S/C15H23N3O/c1-11(2)14-9-16-12(3)10-18(14)15(19)17-13-7-5-4-6-8-13/h4-8,11-12,14,16H,9-10H2,1-3H3,(H,17,19)
InChIKeyGAALAOFOBBHUCE-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.54
Rot. Bonds2

About 5-methyl-N-phenyl-2-propan-2-ylpiperazine-1-carboxamide

5-methyl-N-phenyl-2-propan-2-ylpiperazine-1-carboxamide (PubChem CID 82246231) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 5-methyl-N-phenyl-2-propan-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound Name5-methyl-N-phenyl-2-propan-2-ylpiperazine-1-carboxamide
PubChem CID82246231
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name5-methyl-N-phenyl-2-propan-2-ylpiperazine-1-carboxamide
SMILESCC1CN(C(=O)Nc2ccccc2)C(C(C)C)CN1
InChIInChI=1S/C15H23N3O/c1-11(2)14-9-16-12(3)10-18(14)15(19)17-13-7-5-4-6-8-13/h4-8,11-12,14,16H,9-10H2,1-3H3,(H,17,19)
InChIKeyGAALAOFOBBHUCE-UHFFFAOYSA-N
XLogP2.54
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-phenyl-2-propan-2-ylpiperazine-1-carboxamide?
The IUPAC name of 5-methyl-N-phenyl-2-propan-2-ylpiperazine-1-carboxamide (CID 82246231) is 5-methyl-N-phenyl-2-propan-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for 5-methyl-N-phenyl-2-propan-2-ylpiperazine-1-carboxamide?
The canonical SMILES for 5-methyl-N-phenyl-2-propan-2-ylpiperazine-1-carboxamide is CC1CN(C(=O)Nc2ccccc2)C(C(C)C)CN1.
What is the InChIKey of 5-methyl-N-phenyl-2-propan-2-ylpiperazine-1-carboxamide?
The InChIKey is GAALAOFOBBHUCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-11(2)14-9-16-12(3)10-18(14)15(19)17-13-7-5-4-6-8-13/h4-8,11-12,14,16H,9-10H2,1-3H3,(H,17,19).
What are the key properties of 5-methyl-N-phenyl-2-propan-2-ylpiperazine-1-carboxamide?
5-methyl-N-phenyl-2-propan-2-ylpiperazine-1-carboxamide has a molecular weight of 261.37 g/mol, XLogP of 2.54, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-phenyl-2-propan-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 82246231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).