2-methyl-3-oxo-4-(4-propan-2-ylphenyl)-N-propylpiperazine-1-carboxamide

C18H27N3O2 — CID 24716488

IUPAC2-methyl-3-oxo-4-(4-propan-2-ylphenyl)-N-propylpiperazine-1-carboxamide
SMILESCCCNC(=O)N1CCN(c2ccc(C(C)C)cc2)C(=O)C1C
InChIInChI=1S/C18H27N3O2/c1-5-10-19-18(23)20-11-12-21(17(22)14(20)4)16-8-6-15(7-9-16)13(2)3/h6-9,13-14H,5,10-12H2,1-4H3,(H,19,23)
InChIKeyZLHVICWRVZZRSZ-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.97
Rot. Bonds4

About 2-methyl-3-oxo-4-(4-propan-2-ylphenyl)-N-propylpiperazine-1-carboxamide

2-methyl-3-oxo-4-(4-propan-2-ylphenyl)-N-propylpiperazine-1-carboxamide (PubChem CID 24716488) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 2-methyl-3-oxo-4-(4-propan-2-ylphenyl)-N-propylpiperazine-1-carboxamide.

Molecular Properties

Compound Name2-methyl-3-oxo-4-(4-propan-2-ylphenyl)-N-propylpiperazine-1-carboxamide
PubChem CID24716488
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name2-methyl-3-oxo-4-(4-propan-2-ylphenyl)-N-propylpiperazine-1-carboxamide
SMILESCCCNC(=O)N1CCN(c2ccc(C(C)C)cc2)C(=O)C1C
InChIInChI=1S/C18H27N3O2/c1-5-10-19-18(23)20-11-12-21(17(22)14(20)4)16-8-6-15(7-9-16)13(2)3/h6-9,13-14H,5,10-12H2,1-4H3,(H,19,23)
InChIKeyZLHVICWRVZZRSZ-UHFFFAOYSA-N
XLogP2.97
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-oxo-4-(4-propan-2-ylphenyl)-N-propylpiperazine-1-carboxamide?
The IUPAC name of 2-methyl-3-oxo-4-(4-propan-2-ylphenyl)-N-propylpiperazine-1-carboxamide (CID 24716488) is 2-methyl-3-oxo-4-(4-propan-2-ylphenyl)-N-propylpiperazine-1-carboxamide.
What is the SMILES notation for 2-methyl-3-oxo-4-(4-propan-2-ylphenyl)-N-propylpiperazine-1-carboxamide?
The canonical SMILES for 2-methyl-3-oxo-4-(4-propan-2-ylphenyl)-N-propylpiperazine-1-carboxamide is CCCNC(=O)N1CCN(c2ccc(C(C)C)cc2)C(=O)C1C.
What is the InChIKey of 2-methyl-3-oxo-4-(4-propan-2-ylphenyl)-N-propylpiperazine-1-carboxamide?
The InChIKey is ZLHVICWRVZZRSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-5-10-19-18(23)20-11-12-21(17(22)14(20)4)16-8-6-15(7-9-16)13(2)3/h6-9,13-14H,5,10-12H2,1-4H3,(H,19,23).
What are the key properties of 2-methyl-3-oxo-4-(4-propan-2-ylphenyl)-N-propylpiperazine-1-carboxamide?
2-methyl-3-oxo-4-(4-propan-2-ylphenyl)-N-propylpiperazine-1-carboxamide has a molecular weight of 317.43 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-oxo-4-(4-propan-2-ylphenyl)-N-propylpiperazine-1-carboxamide is sourced from PubChem (CID 24716488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).