4-(4-ethoxyphenyl)-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide

C18H27N3O3 — CID 113105585

IUPAC4-(4-ethoxyphenyl)-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide
SMILESCCOc1ccc(N2CCN(C(=O)NCC3CCCO3)CC2)cc1
InChIInChI=1S/C18H27N3O3/c1-2-23-16-7-5-15(6-8-16)20-9-11-21(12-10-20)18(22)19-14-17-4-3-13-24-17/h5-8,17H,2-4,9-14H2,1H3,(H,19,22)
InChIKeyXLYSLWLBMSOGNP-UHFFFAOYSA-N
MW333.43 g/mol
LogP2.10
Rot. Bonds5

About 4-(4-ethoxyphenyl)-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide

4-(4-ethoxyphenyl)-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide (PubChem CID 113105585) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is 4-(4-ethoxyphenyl)-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-ethoxyphenyl)-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide
PubChem CID113105585
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name4-(4-ethoxyphenyl)-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide
SMILESCCOc1ccc(N2CCN(C(=O)NCC3CCCO3)CC2)cc1
InChIInChI=1S/C18H27N3O3/c1-2-23-16-7-5-15(6-8-16)20-9-11-21(12-10-20)18(22)19-14-17-4-3-13-24-17/h5-8,17H,2-4,9-14H2,1H3,(H,19,22)
InChIKeyXLYSLWLBMSOGNP-UHFFFAOYSA-N
XLogP2.10
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(oxolan-2-ylmethyl)-4-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113105588
4-(4-bromophenyl)-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 113105582
4-(2-ethoxyphenyl)-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 113105584
4-ethoxy-N-(oxolan-2-ylmethyl)benzamide
CID 2850672
4-(3-chloro-4-methoxyphenyl)-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 113105580
N-butyl-4-(4-ethoxyphenyl)piperazine-1-carboxamide
CID 113103898
ethyl 2-[4-(oxolan-2-ylmethylcarbamoyl)piperazin-1-yl]benzoate
CID 113105636
ethyl 4-[6-(oxolan-2-ylmethylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate
CID 109184969
2-[[[4-(4-methoxyphenyl)piperazin-1-yl]-(oxolan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111541432
4-(4-acetylphenyl)-N-(oxolan-2-ylmethyl)piperazine-1-carbothioamide
CID 2957974
5-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 109184994
2-(4-ethoxyanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 54811659

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxyphenyl)-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of 4-(4-ethoxyphenyl)-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide (CID 113105585) is 4-(4-ethoxyphenyl)-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-ethoxyphenyl)-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(4-ethoxyphenyl)-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide is CCOc1ccc(N2CCN(C(=O)NCC3CCCO3)CC2)cc1.
What is the InChIKey of 4-(4-ethoxyphenyl)-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide?
The InChIKey is XLYSLWLBMSOGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-2-23-16-7-5-15(6-8-16)20-9-11-21(12-10-20)18(22)19-14-17-4-3-13-24-17/h5-8,17H,2-4,9-14H2,1H3,(H,19,22).
What are the key properties of 4-(4-ethoxyphenyl)-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide?
4-(4-ethoxyphenyl)-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide has a molecular weight of 333.43 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxyphenyl)-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 113105585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).