2-(1-ethylpiperidin-4-yl)-N-[(1R)-1-(4-fluorophenyl)propyl]acetamide

C18H27FN2O — CID 97205946

IUPAC2-(1-ethylpiperidin-4-yl)-N-[(1R)-1-(4-fluorophenyl)propyl]acetamide
SMILESCC[C@@H](NC(=O)CC1CCN(CC)CC1)c1ccc(F)cc1
InChIInChI=1S/C18H27FN2O/c1-3-17(15-5-7-16(19)8-6-15)20-18(22)13-14-9-11-21(4-2)12-10-14/h5-8,14,17H,3-4,9-13H2,1-2H3,(H,20,22)/t17-/m1/s1
InChIKeyFZBKCLGWMYVIBZ-QGZVFWFLSA-N
MW306.42 g/mol
LogP3.52
Rot. Bonds6

About 2-(1-ethylpiperidin-4-yl)-N-[(1R)-1-(4-fluorophenyl)propyl]acetamide

2-(1-ethylpiperidin-4-yl)-N-[(1R)-1-(4-fluorophenyl)propyl]acetamide (PubChem CID 97205946) has the molecular formula C18H27FN2O and a molecular weight of 306.42 g/mol. Its IUPAC name is 2-(1-ethylpiperidin-4-yl)-N-[(1R)-1-(4-fluorophenyl)propyl]acetamide.

Molecular Properties

Compound Name2-(1-ethylpiperidin-4-yl)-N-[(1R)-1-(4-fluorophenyl)propyl]acetamide
PubChem CID97205946
Molecular FormulaC18H27FN2O
Molecular Weight306.42 g/mol
Exact Mass306.21
IUPAC Name2-(1-ethylpiperidin-4-yl)-N-[(1R)-1-(4-fluorophenyl)propyl]acetamide
SMILESCC[C@@H](NC(=O)CC1CCN(CC)CC1)c1ccc(F)cc1
InChIInChI=1S/C18H27FN2O/c1-3-17(15-5-7-16(19)8-6-15)20-18(22)13-14-9-11-21(4-2)12-10-14/h5-8,14,17H,3-4,9-13H2,1-2H3,(H,20,22)/t17-/m1/s1
InChIKeyFZBKCLGWMYVIBZ-QGZVFWFLSA-N
XLogP3.52
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.42
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]-2-(1-propylpiperidin-4-yl)acetamide
CID 97272567
2-(1-ethylpiperidin-4-yl)-N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]acetamide
CID 97206604
2-(1-ethylpiperidin-4-yl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]acetamide
CID 72923503
N-[(1S)-1-(4-hydroxyphenyl)propyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide
CID 97197132
1-ethyl-N-[1-(4-fluorophenyl)propyl]piperidin-4-amine
CID 54917034
3-[(2-cyclopentylacetyl)amino]-3-(4-fluorophenyl)propanoic acid
CID 45431634
2-(1-ethylpiperidin-4-yl)-N-propan-2-ylacetamide
CID 177202345
N-[1-(4-methoxyphenyl)propyl]-2-piperidin-4-ylacetamide
CID 61029711
3-(4-fluorophenyl)-3-[[2-(oxan-4-yl)acetyl]amino]propanoic acid
CID 119169606
2-(1-ethylpiperidin-4-yl)-N-[(1S)-3-methyl-1-pyridin-3-ylbutyl]acetamide
CID 97203687
N-(4-fluorophenyl)-2-[4-[2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 8719352
N-(4-fluorophenyl)-2-[4-[2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 8719356

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpiperidin-4-yl)-N-[(1R)-1-(4-fluorophenyl)propyl]acetamide?
The IUPAC name of 2-(1-ethylpiperidin-4-yl)-N-[(1R)-1-(4-fluorophenyl)propyl]acetamide (CID 97205946) is 2-(1-ethylpiperidin-4-yl)-N-[(1R)-1-(4-fluorophenyl)propyl]acetamide.
What is the SMILES notation for 2-(1-ethylpiperidin-4-yl)-N-[(1R)-1-(4-fluorophenyl)propyl]acetamide?
The canonical SMILES for 2-(1-ethylpiperidin-4-yl)-N-[(1R)-1-(4-fluorophenyl)propyl]acetamide is CC[C@@H](NC(=O)CC1CCN(CC)CC1)c1ccc(F)cc1.
What is the InChIKey of 2-(1-ethylpiperidin-4-yl)-N-[(1R)-1-(4-fluorophenyl)propyl]acetamide?
The InChIKey is FZBKCLGWMYVIBZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H27FN2O/c1-3-17(15-5-7-16(19)8-6-15)20-18(22)13-14-9-11-21(4-2)12-10-14/h5-8,14,17H,3-4,9-13H2,1-2H3,(H,20,22)/t17-/m1/s1.
What are the key properties of 2-(1-ethylpiperidin-4-yl)-N-[(1R)-1-(4-fluorophenyl)propyl]acetamide?
2-(1-ethylpiperidin-4-yl)-N-[(1R)-1-(4-fluorophenyl)propyl]acetamide has a molecular weight of 306.42 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpiperidin-4-yl)-N-[(1R)-1-(4-fluorophenyl)propyl]acetamide is sourced from PubChem (CID 97205946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).