1-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]piperidine-1,4-dicarboxamide

C17H23F2N3O4 — CID 47065802

IUPAC1-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]piperidine-1,4-dicarboxamide
SMILESCCOc1cc(CNC(=O)N2CCC(C(N)=O)CC2)ccc1OC(F)F
InChIInChI=1S/C17H23F2N3O4/c1-2-25-14-9-11(3-4-13(14)26-16(18)19)10-21-17(24)22-7-5-12(6-8-22)15(20)23/h3-4,9,12,16H,2,5-8,10H2,1H3,(H2,20,23)(H,21,24)
InChIKeyCKLKGESTROVZFW-UHFFFAOYSA-N
MW371.38 g/mol
LogP2.09
Rot. Bonds7

About 1-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]piperidine-1,4-dicarboxamide

1-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]piperidine-1,4-dicarboxamide (PubChem CID 47065802) has the molecular formula C17H23F2N3O4 and a molecular weight of 371.38 g/mol. Its IUPAC name is 1-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]piperidine-1,4-dicarboxamide
PubChem CID47065802
Molecular FormulaC17H23F2N3O4
Molecular Weight371.38 g/mol
Exact Mass371.17
IUPAC Name1-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]piperidine-1,4-dicarboxamide
SMILESCCOc1cc(CNC(=O)N2CCC(C(N)=O)CC2)ccc1OC(F)F
InChIInChI=1S/C17H23F2N3O4/c1-2-25-14-9-11(3-4-13(14)26-16(18)19)10-21-17(24)22-7-5-12(6-8-22)15(20)23/h3-4,9,12,16H,2,5-8,10H2,1H3,(H2,20,23)(H,21,24)
InChIKeyCKLKGESTROVZFW-UHFFFAOYSA-N
XLogP2.09
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.38
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-ethoxypiperidine-1-carboxamide
CID 51124414
4-(difluoromethoxy)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-ethoxybenzamide
CID 9261772
N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]piperidine-3-carboxamide
CID 119285299
N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N'-methyl-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide;hydroiodide
CID 111301856
N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-(methylamino)acetamide;hydrochloride
CID 119716002
(3S)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-methoxypiperidine-1-carboxamide
CID 95329456
1-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-3-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]urea
CID 86898888
2-amino-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-3-methylpentanamide;hydrochloride
CID 119716020
1-N-[(3-fluorophenyl)methyl]piperidine-1,4-dicarboxamide
CID 47027642
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 46486397
4-amino-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-3-methoxybutanamide
CID 120588442
2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]-N-methylacetamide
CID 43214426

Frequently Asked Questions

What is the IUPAC name of 1-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]piperidine-1,4-dicarboxamide?
The IUPAC name of 1-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]piperidine-1,4-dicarboxamide (CID 47065802) is 1-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]piperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]piperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]piperidine-1,4-dicarboxamide is CCOc1cc(CNC(=O)N2CCC(C(N)=O)CC2)ccc1OC(F)F.
What is the InChIKey of 1-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]piperidine-1,4-dicarboxamide?
The InChIKey is CKLKGESTROVZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F2N3O4/c1-2-25-14-9-11(3-4-13(14)26-16(18)19)10-21-17(24)22-7-5-12(6-8-22)15(20)23/h3-4,9,12,16H,2,5-8,10H2,1H3,(H2,20,23)(H,21,24).
What are the key properties of 1-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]piperidine-1,4-dicarboxamide?
1-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]piperidine-1,4-dicarboxamide has a molecular weight of 371.38 g/mol, XLogP of 2.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]piperidine-1,4-dicarboxamide is sourced from PubChem (CID 47065802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).