4-[[(2S)-1,4-dioxan-2-yl]methyl]-N-(2-ethoxyphenyl)piperazine-1-carboxamide

C18H27N3O4 — CID 95352096

IUPAC4-[[(2S)-1,4-dioxan-2-yl]methyl]-N-(2-ethoxyphenyl)piperazine-1-carboxamide
SMILESCCOc1ccccc1NC(=O)N1CCN(C[C@H]2COCCO2)CC1
InChIInChI=1S/C18H27N3O4/c1-2-24-17-6-4-3-5-16(17)19-18(22)21-9-7-20(8-10-21)13-15-14-23-11-12-25-15/h3-6,15H,2,7-14H2,1H3,(H,19,22)/t15-/m0/s1
InChIKeyHPLRFQFHJWOBPV-HNNXBMFYSA-N
MW349.43 g/mol
LogP1.65
Rot. Bonds5

About 4-[[(2S)-1,4-dioxan-2-yl]methyl]-N-(2-ethoxyphenyl)piperazine-1-carboxamide

4-[[(2S)-1,4-dioxan-2-yl]methyl]-N-(2-ethoxyphenyl)piperazine-1-carboxamide (PubChem CID 95352096) has the molecular formula C18H27N3O4 and a molecular weight of 349.43 g/mol. Its IUPAC name is 4-[[(2S)-1,4-dioxan-2-yl]methyl]-N-(2-ethoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[[(2S)-1,4-dioxan-2-yl]methyl]-N-(2-ethoxyphenyl)piperazine-1-carboxamide
PubChem CID95352096
Molecular FormulaC18H27N3O4
Molecular Weight349.43 g/mol
Exact Mass349.20
IUPAC Name4-[[(2S)-1,4-dioxan-2-yl]methyl]-N-(2-ethoxyphenyl)piperazine-1-carboxamide
SMILESCCOc1ccccc1NC(=O)N1CCN(C[C@H]2COCCO2)CC1
InChIInChI=1S/C18H27N3O4/c1-2-24-17-6-4-3-5-16(17)19-18(22)21-9-7-20(8-10-21)13-15-14-23-11-12-25-15/h3-6,15H,2,7-14H2,1H3,(H,19,22)/t15-/m0/s1
InChIKeyHPLRFQFHJWOBPV-HNNXBMFYSA-N
XLogP1.65
TPSA63.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(2S)-1,4-dioxan-2-yl]methyl]-N-(3-ethoxyphenyl)piperazine-1-carboxamide
CID 95630489
4-(cyclopropylmethyl)-N-[2-[[(2R)-oxan-2-yl]methoxy]phenyl]piperazine-1-carboxamide
CID 129368188
4-benzyl-N-(2-ethoxyphenyl)piperazine-1-carboxamide
CID 6468674
N-(2-ethoxyphenyl)-4-formylpiperazine-1-carboxamide
CID 108988617
N-(2-ethoxyphenyl)-4-phenylpiperazine-1-carboxamide
CID 108989544
4-cyclopropylidene-N-(2-ethoxyphenyl)piperidine-1-carboxamide
CID 121187160
N-(2-ethoxyphenyl)-4-thiophen-2-ylpiperidine-1-carboxamide
CID 90522272
4-(2-methylpropyl)-N-[2-[[(2S)-oxan-2-yl]methoxy]phenyl]piperazine-1-carboxamide
CID 129368185
4-(3,5-dimethylphenyl)-N-(2-ethoxyphenyl)piperazine-1-carboxamide
CID 113111741
N-(4-ethoxyphenyl)-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 113105474
N-(2-ethoxyphenyl)-4-(3-methoxyphenyl)piperazine-1-carboxamide
CID 113113542
N-(2-ethoxyphenyl)-4-[2-(2-ethylimidazol-1-yl)ethyl]piperazine-1-carboxamide
CID 90561867

Frequently Asked Questions

What is the IUPAC name of 4-[[(2S)-1,4-dioxan-2-yl]methyl]-N-(2-ethoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-[[(2S)-1,4-dioxan-2-yl]methyl]-N-(2-ethoxyphenyl)piperazine-1-carboxamide (CID 95352096) is 4-[[(2S)-1,4-dioxan-2-yl]methyl]-N-(2-ethoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[[(2S)-1,4-dioxan-2-yl]methyl]-N-(2-ethoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[[(2S)-1,4-dioxan-2-yl]methyl]-N-(2-ethoxyphenyl)piperazine-1-carboxamide is CCOc1ccccc1NC(=O)N1CCN(C[C@H]2COCCO2)CC1.
What is the InChIKey of 4-[[(2S)-1,4-dioxan-2-yl]methyl]-N-(2-ethoxyphenyl)piperazine-1-carboxamide?
The InChIKey is HPLRFQFHJWOBPV-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H27N3O4/c1-2-24-17-6-4-3-5-16(17)19-18(22)21-9-7-20(8-10-21)13-15-14-23-11-12-25-15/h3-6,15H,2,7-14H2,1H3,(H,19,22)/t15-/m0/s1.
What are the key properties of 4-[[(2S)-1,4-dioxan-2-yl]methyl]-N-(2-ethoxyphenyl)piperazine-1-carboxamide?
4-[[(2S)-1,4-dioxan-2-yl]methyl]-N-(2-ethoxyphenyl)piperazine-1-carboxamide has a molecular weight of 349.43 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2S)-1,4-dioxan-2-yl]methyl]-N-(2-ethoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 95352096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).