N-[1-(2-fluorophenoxy)propan-2-yl]-3,5-dimethylpiperidine-1-carboxamide

C17H25FN2O2 — CID 60577814

IUPACN-[1-(2-fluorophenoxy)propan-2-yl]-3,5-dimethylpiperidine-1-carboxamide
SMILESCC1CC(C)CN(C(=O)NC(C)COc2ccccc2F)C1
InChIInChI=1S/C17H25FN2O2/c1-12-8-13(2)10-20(9-12)17(21)19-14(3)11-22-16-7-5-4-6-15(16)18/h4-7,12-14H,8-11H2,1-3H3,(H,19,21)
InChIKeyGOAHTYGBICDMLP-UHFFFAOYSA-N
MW308.40 g/mol
LogP3.28
Rot. Bonds4

About N-[1-(2-fluorophenoxy)propan-2-yl]-3,5-dimethylpiperidine-1-carboxamide

N-[1-(2-fluorophenoxy)propan-2-yl]-3,5-dimethylpiperidine-1-carboxamide (PubChem CID 60577814) has the molecular formula C17H25FN2O2 and a molecular weight of 308.40 g/mol. Its IUPAC name is N-[1-(2-fluorophenoxy)propan-2-yl]-3,5-dimethylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(2-fluorophenoxy)propan-2-yl]-3,5-dimethylpiperidine-1-carboxamide
PubChem CID60577814
Molecular FormulaC17H25FN2O2
Molecular Weight308.40 g/mol
Exact Mass308.19
IUPAC NameN-[1-(2-fluorophenoxy)propan-2-yl]-3,5-dimethylpiperidine-1-carboxamide
SMILESCC1CC(C)CN(C(=O)NC(C)COc2ccccc2F)C1
InChIInChI=1S/C17H25FN2O2/c1-12-8-13(2)10-20(9-12)17(21)19-14(3)11-22-16-7-5-4-6-15(16)18/h4-7,12-14H,8-11H2,1-3H3,(H,19,21)
InChIKeyGOAHTYGBICDMLP-UHFFFAOYSA-N
XLogP3.28
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,4-difluorophenoxy)propan-2-yl]-4-methylpiperidine-1-carboxamide
CID 60580560
(2R)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-(2-fluorophenoxy)propan-2-ol
CID 27044185
(3R,5S)-N-[(2R)-butan-2-yl]-3,5-dimethylpiperidine-1-carboxamide
CID 29057369
3-hydroxy-N-[1-[2-(trifluoromethyl)phenoxy]propan-2-yl]piperidine-1-carboxamide
CID 110904080
1-[(2S)-1-(2-fluorophenoxy)propan-2-yl]-3-(4-hydroxycyclohexyl)urea
CID 94594223
5-methyl-1-(1-phenylmethoxypropan-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 122122970
N-[1-(4-fluorophenoxy)propan-2-yl]-3-hydroxy-4-methylpiperidine-1-carboxamide
CID 75441282
(2R)-N-[(2S)-1-(2-fluorophenoxy)propan-2-yl]-1,4-dioxane-2-carboxamide
CID 94198152
2-(2-fluorophenoxy)-N-[(2S)-1-(2-methylphenoxy)propan-2-yl]acetamide
CID 94623553
4-[2-(2-fluorophenoxy)acetyl]-N-propan-2-yl-1,4-diazepane-1-carboxamide
CID 110811892
N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]thiomorpholine-4-carboxamide
CID 86941232
N-[2-(2-fluorophenyl)ethyl]-3,5-dimethylpiperidine-1-carboxamide
CID 108900039

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenoxy)propan-2-yl]-3,5-dimethylpiperidine-1-carboxamide?
The IUPAC name of N-[1-(2-fluorophenoxy)propan-2-yl]-3,5-dimethylpiperidine-1-carboxamide (CID 60577814) is N-[1-(2-fluorophenoxy)propan-2-yl]-3,5-dimethylpiperidine-1-carboxamide.
What is the SMILES notation for N-[1-(2-fluorophenoxy)propan-2-yl]-3,5-dimethylpiperidine-1-carboxamide?
The canonical SMILES for N-[1-(2-fluorophenoxy)propan-2-yl]-3,5-dimethylpiperidine-1-carboxamide is CC1CC(C)CN(C(=O)NC(C)COc2ccccc2F)C1.
What is the InChIKey of N-[1-(2-fluorophenoxy)propan-2-yl]-3,5-dimethylpiperidine-1-carboxamide?
The InChIKey is GOAHTYGBICDMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O2/c1-12-8-13(2)10-20(9-12)17(21)19-14(3)11-22-16-7-5-4-6-15(16)18/h4-7,12-14H,8-11H2,1-3H3,(H,19,21).
What are the key properties of N-[1-(2-fluorophenoxy)propan-2-yl]-3,5-dimethylpiperidine-1-carboxamide?
N-[1-(2-fluorophenoxy)propan-2-yl]-3,5-dimethylpiperidine-1-carboxamide has a molecular weight of 308.40 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenoxy)propan-2-yl]-3,5-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 60577814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).