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

C18H27N3O3 — CID 113105584

IUPAC4-(2-ethoxyphenyl)-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide
SMILESCCOc1ccccc1N1CCN(C(=O)NCC2CCCO2)CC1
InChIInChI=1S/C18H27N3O3/c1-2-23-17-8-4-3-7-16(17)20-9-11-21(12-10-20)18(22)19-14-15-6-5-13-24-15/h3-4,7-8,15H,2,5-6,9-14H2,1H3,(H,19,22)
InChIKeySYWKCRNNBCDEPJ-UHFFFAOYSA-N
MW333.43 g/mol
LogP2.10
Rot. Bonds5

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

4-(2-ethoxyphenyl)-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide (PubChem CID 113105584) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is 4-(2-ethoxyphenyl)-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-ethoxyphenyl)-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide
PubChem CID113105584
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name4-(2-ethoxyphenyl)-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide
SMILESCCOc1ccccc1N1CCN(C(=O)NCC2CCCO2)CC1
InChIInChI=1S/C18H27N3O3/c1-2-23-17-8-4-3-7-16(17)20-9-11-21(12-10-20)18(22)19-14-15-6-5-13-24-15/h3-4,7-8,15H,2,5-6,9-14H2,1H3,(H,19,22)
InChIKeySYWKCRNNBCDEPJ-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

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Related Compounds

ethyl 2-[4-(oxolan-2-ylmethylcarbamoyl)piperazin-1-yl]benzoate
CID 113105636
4-(4-ethoxyphenyl)-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 113105585
2-[[[4-(2-methoxyphenyl)piperazin-1-yl]-(oxolan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111538321
1-(2-ethoxyphenyl)-3-(oxolan-2-ylmethyl)urea
CID 47195849
4-(2-ethoxyphenyl)-N-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 39722655
6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 109153644
4-(2-ethoxyphenyl)-N-[(2-methylfuran-3-yl)methyl]piperazine-1-carboxamide
CID 60569814
1-[(2-ethoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 163328027
[4-(2-methoxyphenyl)piperazin-1-yl]-[6-(oxolan-2-ylmethylamino)-3-pyridinyl]methanone
CID 109153538
4-(4-bromophenyl)-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 113105582
4-(2-ethoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]piperazine-1-carboxamide
CID 119071790
N-(oxolan-2-ylmethyl)-4-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113105588

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyphenyl)-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of 4-(2-ethoxyphenyl)-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide (CID 113105584) is 4-(2-ethoxyphenyl)-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-ethoxyphenyl)-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(2-ethoxyphenyl)-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide is CCOc1ccccc1N1CCN(C(=O)NCC2CCCO2)CC1.
What is the InChIKey of 4-(2-ethoxyphenyl)-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide?
The InChIKey is SYWKCRNNBCDEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-2-23-17-8-4-3-7-16(17)20-9-11-21(12-10-20)18(22)19-14-15-6-5-13-24-15/h3-4,7-8,15H,2,5-6,9-14H2,1H3,(H,19,22).
What are the key properties of 4-(2-ethoxyphenyl)-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide?
4-(2-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-(2-ethoxyphenyl)-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 113105584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).