3-amino-2-[(4,4-difluorocyclohexyl)oxymethyl]-N-ethylpiperidine-1-carboxamide

C15H27F2N3O2 — CID 166854370

IUPAC3-amino-2-[(4,4-difluorocyclohexyl)oxymethyl]-N-ethylpiperidine-1-carboxamide
SMILESCCNC(=O)N1CCCC(N)C1COC1CCC(F)(F)CC1
InChIInChI=1S/C15H27F2N3O2/c1-2-19-14(21)20-9-3-4-12(18)13(20)10-22-11-5-7-15(16,17)8-6-11/h11-13H,2-10,18H2,1H3,(H,19,21)
InChIKeyBHLHHYRCBGZHPV-UHFFFAOYSA-N
MW319.40 g/mol
LogP2.10
Rot. Bonds4

About 3-amino-2-[(4,4-difluorocyclohexyl)oxymethyl]-N-ethylpiperidine-1-carboxamide

3-amino-2-[(4,4-difluorocyclohexyl)oxymethyl]-N-ethylpiperidine-1-carboxamide (PubChem CID 166854370) has the molecular formula C15H27F2N3O2 and a molecular weight of 319.40 g/mol. Its IUPAC name is 3-amino-2-[(4,4-difluorocyclohexyl)oxymethyl]-N-ethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name3-amino-2-[(4,4-difluorocyclohexyl)oxymethyl]-N-ethylpiperidine-1-carboxamide
PubChem CID166854370
Molecular FormulaC15H27F2N3O2
Molecular Weight319.40 g/mol
Exact Mass319.21
IUPAC Name3-amino-2-[(4,4-difluorocyclohexyl)oxymethyl]-N-ethylpiperidine-1-carboxamide
SMILESCCNC(=O)N1CCCC(N)C1COC1CCC(F)(F)CC1
InChIInChI=1S/C15H27F2N3O2/c1-2-19-14(21)20-9-3-4-12(18)13(20)10-22-11-5-7-15(16,17)8-6-11/h11-13H,2-10,18H2,1H3,(H,19,21)
InChIKeyBHLHHYRCBGZHPV-UHFFFAOYSA-N
XLogP2.10
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[(4,4-difluorocyclohexyl)oxymethyl]-N-ethylpiperidine-1-carboxamide?
The IUPAC name of 3-amino-2-[(4,4-difluorocyclohexyl)oxymethyl]-N-ethylpiperidine-1-carboxamide (CID 166854370) is 3-amino-2-[(4,4-difluorocyclohexyl)oxymethyl]-N-ethylpiperidine-1-carboxamide.
What is the SMILES notation for 3-amino-2-[(4,4-difluorocyclohexyl)oxymethyl]-N-ethylpiperidine-1-carboxamide?
The canonical SMILES for 3-amino-2-[(4,4-difluorocyclohexyl)oxymethyl]-N-ethylpiperidine-1-carboxamide is CCNC(=O)N1CCCC(N)C1COC1CCC(F)(F)CC1.
What is the InChIKey of 3-amino-2-[(4,4-difluorocyclohexyl)oxymethyl]-N-ethylpiperidine-1-carboxamide?
The InChIKey is BHLHHYRCBGZHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F2N3O2/c1-2-19-14(21)20-9-3-4-12(18)13(20)10-22-11-5-7-15(16,17)8-6-11/h11-13H,2-10,18H2,1H3,(H,19,21).
What are the key properties of 3-amino-2-[(4,4-difluorocyclohexyl)oxymethyl]-N-ethylpiperidine-1-carboxamide?
3-amino-2-[(4,4-difluorocyclohexyl)oxymethyl]-N-ethylpiperidine-1-carboxamide has a molecular weight of 319.40 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[(4,4-difluorocyclohexyl)oxymethyl]-N-ethylpiperidine-1-carboxamide is sourced from PubChem (CID 166854370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).