1-N-(4,4-difluoro-2-methylbutyl)-3-N-(2-methoxyethyl)-6-methylpiperidine-1,3-dicarboxamide

C16H29F2N3O3 — CID 167820474

IUPAC1-N-(4,4-difluoro-2-methylbutyl)-3-N-(2-methoxyethyl)-6-methylpiperidine-1,3-dicarboxamide
SMILESCOCCNC(=O)C1CCC(C)N(C(=O)NCC(C)CC(F)F)C1
InChIInChI=1S/C16H29F2N3O3/c1-11(8-14(17)18)9-20-16(23)21-10-13(5-4-12(21)2)15(22)19-6-7-24-3/h11-14H,4-10H2,1-3H3,(H,19,22)(H,20,23)
InChIKeySMUVHLUOZYTMRD-UHFFFAOYSA-N
MW349.42 g/mol
LogP1.85
Rot. Bonds8

About 1-N-(4,4-difluoro-2-methylbutyl)-3-N-(2-methoxyethyl)-6-methylpiperidine-1,3-dicarboxamide

1-N-(4,4-difluoro-2-methylbutyl)-3-N-(2-methoxyethyl)-6-methylpiperidine-1,3-dicarboxamide (PubChem CID 167820474) has the molecular formula C16H29F2N3O3 and a molecular weight of 349.42 g/mol. Its IUPAC name is 1-N-(4,4-difluoro-2-methylbutyl)-3-N-(2-methoxyethyl)-6-methylpiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-(4,4-difluoro-2-methylbutyl)-3-N-(2-methoxyethyl)-6-methylpiperidine-1,3-dicarboxamide
PubChem CID167820474
Molecular FormulaC16H29F2N3O3
Molecular Weight349.42 g/mol
Exact Mass349.22
IUPAC Name1-N-(4,4-difluoro-2-methylbutyl)-3-N-(2-methoxyethyl)-6-methylpiperidine-1,3-dicarboxamide
SMILESCOCCNC(=O)C1CCC(C)N(C(=O)NCC(C)CC(F)F)C1
InChIInChI=1S/C16H29F2N3O3/c1-11(8-14(17)18)9-20-16(23)21-10-13(5-4-12(21)2)15(22)19-6-7-24-3/h11-14H,4-10H2,1-3H3,(H,19,22)(H,20,23)
InChIKeySMUVHLUOZYTMRD-UHFFFAOYSA-N
XLogP1.85
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-N,3-N-diethyl-1-N-(2-methoxyethyl)piperidine-1,3-dicarboxamide
CID 172435150
1-(2-methoxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 71988718
2-methyl-N-(2-methylpropyl)-5-[3-(trifluoromethyl)morpholin-4-yl]hexanamide
CID 174339054
(3R)-1-N-propan-2-yl-3-N-(2,2,2-trifluoroethyl)piperidine-1,3-dicarboxamide
CID 40150689
(3S)-1-N-propan-2-yl-3-N-(2,2,2-trifluoroethyl)piperidine-1,3-dicarboxamide
CID 40150690
1-N-propan-2-yl-3-N-(2,2,2-trifluoroethyl)piperidine-1,3-dicarboxamide
CID 42959233
N-(2-methoxyethyl)-3-[1-(3,3,3-trifluoro-1-methylpropyl)-4-piperidinyl]propanamide
CID 45930348
6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-carboxamide
CID 63829009
1-(4,4-difluorocyclohexanecarbonyl)-N-(2-methoxyethyl)-6-methylpiperidine-3-carboxamide
CID 75514237
2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-carboxamide
CID 80079647
Ethane;6-methyl-1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-3-carboxamide
CID 86776925
6-Methyl-1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-3-carboxamide
CID 86776926

Frequently Asked Questions

What is the IUPAC name of 1-N-(4,4-difluoro-2-methylbutyl)-3-N-(2-methoxyethyl)-6-methylpiperidine-1,3-dicarboxamide?
The IUPAC name of 1-N-(4,4-difluoro-2-methylbutyl)-3-N-(2-methoxyethyl)-6-methylpiperidine-1,3-dicarboxamide (CID 167820474) is 1-N-(4,4-difluoro-2-methylbutyl)-3-N-(2-methoxyethyl)-6-methylpiperidine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-(4,4-difluoro-2-methylbutyl)-3-N-(2-methoxyethyl)-6-methylpiperidine-1,3-dicarboxamide?
The canonical SMILES for 1-N-(4,4-difluoro-2-methylbutyl)-3-N-(2-methoxyethyl)-6-methylpiperidine-1,3-dicarboxamide is COCCNC(=O)C1CCC(C)N(C(=O)NCC(C)CC(F)F)C1.
What is the InChIKey of 1-N-(4,4-difluoro-2-methylbutyl)-3-N-(2-methoxyethyl)-6-methylpiperidine-1,3-dicarboxamide?
The InChIKey is SMUVHLUOZYTMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29F2N3O3/c1-11(8-14(17)18)9-20-16(23)21-10-13(5-4-12(21)2)15(22)19-6-7-24-3/h11-14H,4-10H2,1-3H3,(H,19,22)(H,20,23).
What are the key properties of 1-N-(4,4-difluoro-2-methylbutyl)-3-N-(2-methoxyethyl)-6-methylpiperidine-1,3-dicarboxamide?
1-N-(4,4-difluoro-2-methylbutyl)-3-N-(2-methoxyethyl)-6-methylpiperidine-1,3-dicarboxamide has a molecular weight of 349.42 g/mol, XLogP of 1.85, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4,4-difluoro-2-methylbutyl)-3-N-(2-methoxyethyl)-6-methylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 167820474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).