2-[(3R)-3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-N-propan-2-ylacetamide

C18H26F2N2O — CID 95727386

IUPAC2-[(3R)-3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1CCC[C@@H](CCc2ccc(F)c(F)c2)C1
InChIInChI=1S/C18H26F2N2O/c1-13(2)21-18(23)12-22-9-3-4-15(11-22)6-5-14-7-8-16(19)17(20)10-14/h7-8,10,13,15H,3-6,9,11-12H2,1-2H3,(H,21,23)/t15-/m0/s1
InChIKeyKWABRXRSOKFFMG-HNNXBMFYSA-N
MW324.42 g/mol
LogP3.13
Rot. Bonds6

About 2-[(3R)-3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-N-propan-2-ylacetamide

2-[(3R)-3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-N-propan-2-ylacetamide (PubChem CID 95727386) has the molecular formula C18H26F2N2O and a molecular weight of 324.42 g/mol. Its IUPAC name is 2-[(3R)-3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(3R)-3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-N-propan-2-ylacetamide
PubChem CID95727386
Molecular FormulaC18H26F2N2O
Molecular Weight324.42 g/mol
Exact Mass324.20
IUPAC Name2-[(3R)-3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1CCC[C@@H](CCc2ccc(F)c(F)c2)C1
InChIInChI=1S/C18H26F2N2O/c1-13(2)21-18(23)12-22-9-3-4-15(11-22)6-5-14-7-8-16(19)17(20)10-14/h7-8,10,13,15H,3-6,9,11-12H2,1-2H3,(H,21,23)/t15-/m0/s1
InChIKeyKWABRXRSOKFFMG-HNNXBMFYSA-N
XLogP3.13
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(3R)-3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-N-propan-2-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-2-(methylamino)ethanone
CID 56870699
2-[3-(2-aminoethyl)piperidin-1-yl]-N-(3,4-difluorophenyl)acetamide;hydrochloride
CID 120728308
[(3R)-3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-[2-(propan-2-ylamino)pyrimidin-5-yl]methanone
CID 95553493
N-propan-2-yl-2-[(3S)-3-(2-propan-2-yloxyethyl)piperidin-1-yl]acetamide
CID 170372113
2-[(3S)-3-(azepan-1-ylmethyl)piperidin-1-yl]-N-propan-2-ylacetamide
CID 95301456
5-[[(3R)-3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]methyl]-N-ethylpyrimidin-2-amine
CID 95562692
5-[[(3R)-3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 98277430
N-(3,4-difluorophenyl)-2-[3-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride
CID 119914369
4-[1-[(3S)-3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-2-methylpropan-2-yl]morpholine
CID 95415448
[(3R)-3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 25455738
2-[[(3S)-3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one
CID 95716602
[(3S)-3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-(furan-3-yl)methanone
CID 42191853

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(3R)-3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-N-propan-2-ylacetamide (CID 95727386) is 2-[(3R)-3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(3R)-3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(3R)-3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)CN1CCC[C@@H](CCc2ccc(F)c(F)c2)C1.
What is the InChIKey of 2-[(3R)-3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-N-propan-2-ylacetamide?
The InChIKey is KWABRXRSOKFFMG-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H26F2N2O/c1-13(2)21-18(23)12-22-9-3-4-15(11-22)6-5-14-7-8-16(19)17(20)10-14/h7-8,10,13,15H,3-6,9,11-12H2,1-2H3,(H,21,23)/t15-/m0/s1.
What are the key properties of 2-[(3R)-3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-N-propan-2-ylacetamide?
2-[(3R)-3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-N-propan-2-ylacetamide has a molecular weight of 324.42 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 95727386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).