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

C18H25N3O3 — CID 5013878

IUPACN-(4-ethylphenyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
SMILESCCc1ccc(NC(=O)N2CCN(C(=O)C3CCCO3)CC2)cc1
InChIInChI=1S/C18H25N3O3/c1-2-14-5-7-15(8-6-14)19-18(23)21-11-9-20(10-12-21)17(22)16-4-3-13-24-16/h5-8,16H,2-4,9-13H2,1H3,(H,19,23)
InChIKeyDXXUEXRGCQSEOA-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.10
Rot. Bonds3

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

N-(4-ethylphenyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide (PubChem CID 5013878) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-(4-ethylphenyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
PubChem CID5013878
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC NameN-(4-ethylphenyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
SMILESCCc1ccc(NC(=O)N2CCN(C(=O)C3CCCO3)CC2)cc1
InChIInChI=1S/C18H25N3O3/c1-2-14-5-7-15(8-6-14)19-18(23)21-11-9-20(10-12-21)17(22)16-4-3-13-24-16/h5-8,16H,2-4,9-13H2,1H3,(H,19,23)
InChIKeyDXXUEXRGCQSEOA-UHFFFAOYSA-N
XLogP2.10
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide (CID 5013878) is N-(4-ethylphenyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide is CCc1ccc(NC(=O)N2CCN(C(=O)C3CCCO3)CC2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide?
The InChIKey is DXXUEXRGCQSEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-2-14-5-7-15(8-6-14)19-18(23)21-11-9-20(10-12-21)17(22)16-4-3-13-24-16/h5-8,16H,2-4,9-13H2,1H3,(H,19,23).
What are the key properties of N-(4-ethylphenyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide?
N-(4-ethylphenyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide is sourced from PubChem (CID 5013878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).