N-[(3S)-1-(3,3-dimethylbutyl)piperidin-3-yl]-2-(2-fluorophenoxy)acetamide

C19H29FN2O2 — CID 45115607

IUPACN-[(3S)-1-(3,3-dimethylbutyl)piperidin-3-yl]-2-(2-fluorophenoxy)acetamide
SMILESCC(C)(C)CCN1CCC[C@H](NC(=O)COc2ccccc2F)C1
InChIInChI=1S/C19H29FN2O2/c1-19(2,3)10-12-22-11-6-7-15(13-22)21-18(23)14-24-17-9-5-4-8-16(17)20/h4-5,8-9,15H,6-7,10-14H2,1-3H3,(H,21,23)/t15-/m0/s1
InChIKeyPQDNCEYKTULWLO-HNNXBMFYSA-N
MW336.45 g/mol
LogP3.22
Rot. Bonds6

About N-[(3S)-1-(3,3-dimethylbutyl)piperidin-3-yl]-2-(2-fluorophenoxy)acetamide

N-[(3S)-1-(3,3-dimethylbutyl)piperidin-3-yl]-2-(2-fluorophenoxy)acetamide (PubChem CID 45115607) has the molecular formula C19H29FN2O2 and a molecular weight of 336.45 g/mol. Its IUPAC name is N-[(3S)-1-(3,3-dimethylbutyl)piperidin-3-yl]-2-(2-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-[(3S)-1-(3,3-dimethylbutyl)piperidin-3-yl]-2-(2-fluorophenoxy)acetamide
PubChem CID45115607
Molecular FormulaC19H29FN2O2
Molecular Weight336.45 g/mol
Exact Mass336.22
IUPAC NameN-[(3S)-1-(3,3-dimethylbutyl)piperidin-3-yl]-2-(2-fluorophenoxy)acetamide
SMILESCC(C)(C)CCN1CCC[C@H](NC(=O)COc2ccccc2F)C1
InChIInChI=1S/C19H29FN2O2/c1-19(2,3)10-12-22-11-6-7-15(13-22)21-18(23)14-24-17-9-5-4-8-16(17)20/h4-5,8-9,15H,6-7,10-14H2,1-3H3,(H,21,23)/t15-/m0/s1
InChIKeyPQDNCEYKTULWLO-HNNXBMFYSA-N
XLogP3.22
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.45
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluorophenoxy)-N-piperidin-4-ylacetamide
CID 110488066
2-(2-fluorophenoxy)-N-(1-methylsulfonylpiperidin-4-yl)acetamide
CID 110714979
4-[[2-(2-fluorophenoxy)acetyl]amino]-N-phenylpiperidine-1-carboxamide
CID 51324417
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(2-fluorophenoxy)acetamide
CID 8590108
N-(3,3-dimethylcyclopentyl)-2-(2-fluorophenoxy)acetamide
CID 115880485
2-(2,4-difluorophenoxy)-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]acetamide
CID 118778594
2-(2-fluorophenoxy)-N-(2-hydroxycyclohexyl)acetamide
CID 62360872
2-(2-fluorophenoxy)-N-[(1-methylpiperidin-4-yl)methyl]acetamide
CID 16895399
3-(2-fluorophenoxy)-2,2-dimethyl-N-(1-methylpiperidin-4-yl)propanamide
CID 146402416
2-(4-acetylphenoxy)-N-[1-(2-phenylethyl)piperidin-3-yl]acetamide
CID 56715324
2-(2-fluorophenyl)-N-(1-methylpiperidin-3-yl)acetamide
CID 47344420
N-cyclopropyl-2-[4-[2-(2-fluorophenoxy)acetyl]piperazin-1-yl]acetamide
CID 51221112

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(3,3-dimethylbutyl)piperidin-3-yl]-2-(2-fluorophenoxy)acetamide?
The IUPAC name of N-[(3S)-1-(3,3-dimethylbutyl)piperidin-3-yl]-2-(2-fluorophenoxy)acetamide (CID 45115607) is N-[(3S)-1-(3,3-dimethylbutyl)piperidin-3-yl]-2-(2-fluorophenoxy)acetamide.
What is the SMILES notation for N-[(3S)-1-(3,3-dimethylbutyl)piperidin-3-yl]-2-(2-fluorophenoxy)acetamide?
The canonical SMILES for N-[(3S)-1-(3,3-dimethylbutyl)piperidin-3-yl]-2-(2-fluorophenoxy)acetamide is CC(C)(C)CCN1CCC[C@H](NC(=O)COc2ccccc2F)C1.
What is the InChIKey of N-[(3S)-1-(3,3-dimethylbutyl)piperidin-3-yl]-2-(2-fluorophenoxy)acetamide?
The InChIKey is PQDNCEYKTULWLO-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H29FN2O2/c1-19(2,3)10-12-22-11-6-7-15(13-22)21-18(23)14-24-17-9-5-4-8-16(17)20/h4-5,8-9,15H,6-7,10-14H2,1-3H3,(H,21,23)/t15-/m0/s1.
What are the key properties of N-[(3S)-1-(3,3-dimethylbutyl)piperidin-3-yl]-2-(2-fluorophenoxy)acetamide?
N-[(3S)-1-(3,3-dimethylbutyl)piperidin-3-yl]-2-(2-fluorophenoxy)acetamide has a molecular weight of 336.45 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(3,3-dimethylbutyl)piperidin-3-yl]-2-(2-fluorophenoxy)acetamide is sourced from PubChem (CID 45115607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).