N-(4-methylphenyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide

C17H23N3O3 — CID 2975257

IUPACN-(4-methylphenyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCN(C(=O)C3CCCO3)CC2)cc1
InChIInChI=1S/C17H23N3O3/c1-13-4-6-14(7-5-13)18-17(22)20-10-8-19(9-11-20)16(21)15-3-2-12-23-15/h4-7,15H,2-3,8-12H2,1H3,(H,18,22)
InChIKeyOQAMFPKZLHCXSD-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.85
Rot. Bonds2

About N-(4-methylphenyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide

N-(4-methylphenyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide (PubChem CID 2975257) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-(4-methylphenyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
PubChem CID2975257
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC NameN-(4-methylphenyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCN(C(=O)C3CCCO3)CC2)cc1
InChIInChI=1S/C17H23N3O3/c1-13-4-6-14(7-5-13)18-17(22)20-10-8-19(9-11-20)16(21)15-3-2-12-23-15/h4-7,15H,2-3,8-12H2,1H3,(H,18,22)
InChIKeyOQAMFPKZLHCXSD-UHFFFAOYSA-N
XLogP1.85
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide?
The IUPAC name of N-(4-methylphenyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide (CID 2975257) is N-(4-methylphenyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide is Cc1ccc(NC(=O)N2CCN(C(=O)C3CCCO3)CC2)cc1.
What is the InChIKey of N-(4-methylphenyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide?
The InChIKey is OQAMFPKZLHCXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-13-4-6-14(7-5-13)18-17(22)20-10-8-19(9-11-20)16(21)15-3-2-12-23-15/h4-7,15H,2-3,8-12H2,1H3,(H,18,22).
What are the key properties of N-(4-methylphenyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide?
N-(4-methylphenyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide is sourced from PubChem (CID 2975257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).