(3S)-N,N-diethyl-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide

C18H25FN2O2 — CID 94028091

IUPAC(3S)-N,N-diethyl-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide
SMILESCCN(CC)C(=O)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1
InChIInChI=1S/C18H25FN2O2/c1-3-20(4-2)18(23)15-6-5-11-21(13-15)17(22)12-14-7-9-16(19)10-8-14/h7-10,15H,3-6,11-13H2,1-2H3/t15-/m0/s1
InChIKeyMCOFIGHZRFPDIN-HNNXBMFYSA-N
MW320.41 g/mol
LogP2.48
Rot. Bonds5

About (3S)-N,N-diethyl-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide

(3S)-N,N-diethyl-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide (PubChem CID 94028091) has the molecular formula C18H25FN2O2 and a molecular weight of 320.41 g/mol. Its IUPAC name is (3S)-N,N-diethyl-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N,N-diethyl-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide
PubChem CID94028091
Molecular FormulaC18H25FN2O2
Molecular Weight320.41 g/mol
Exact Mass320.19
IUPAC Name(3S)-N,N-diethyl-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide
SMILESCCN(CC)C(=O)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1
InChIInChI=1S/C18H25FN2O2/c1-3-20(4-2)18(23)15-6-5-11-21(13-15)17(22)12-14-7-9-16(19)10-8-14/h7-10,15H,3-6,11-13H2,1-2H3/t15-/m0/s1
InChIKeyMCOFIGHZRFPDIN-HNNXBMFYSA-N
XLogP2.48
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide
CID 55761312
N-cycloheptyl-1-[2-(4-fluorophenyl)acetyl]-N-methylpiperidine-3-carboxamide
CID 55758241
2-(4-fluorophenyl)-1-(3-methylpiperidin-1-yl)ethanone
CID 2915380
1-[3-(3,5-dimethylpiperidine-1-carbonyl)piperidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 55739986
N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 55629106
N',1-bis[2-(4-fluorophenyl)acetyl]piperidine-3-carbohydrazide
CID 55738620
2-(4-fluorophenyl)-1-[3-(3-hydroxypiperidine-1-carbonyl)piperidin-1-yl]ethanone
CID 110893860
tert-butyl 3-[ethyl-[(4-fluorophenyl)methyl]carbamoyl]piperidine-1-carboxylate
CID 71635208
(3R)-1-[2-(4-fluorophenyl)acetyl]-N-methyl-N-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]piperidine-3-carboxamide
CID 95778085
(3R)-1-[2-(4-fluorophenyl)acetyl]-N-methyl-N-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]piperidine-3-carboxamide
CID 95778086
1-[1-[2-(4-fluorophenyl)acetyl]piperidine-3-carbonyl]piperidin-4-one
CID 127769925
(3R)-1-[2-(4-fluorophenyl)acetyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 94168679

Frequently Asked Questions

What is the IUPAC name of (3S)-N,N-diethyl-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-N,N-diethyl-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide (CID 94028091) is (3S)-N,N-diethyl-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N,N-diethyl-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-N,N-diethyl-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide is CCN(CC)C(=O)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1.
What is the InChIKey of (3S)-N,N-diethyl-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide?
The InChIKey is MCOFIGHZRFPDIN-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H25FN2O2/c1-3-20(4-2)18(23)15-6-5-11-21(13-15)17(22)12-14-7-9-16(19)10-8-14/h7-10,15H,3-6,11-13H2,1-2H3/t15-/m0/s1.
What are the key properties of (3S)-N,N-diethyl-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide?
(3S)-N,N-diethyl-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide has a molecular weight of 320.41 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N,N-diethyl-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide is sourced from PubChem (CID 94028091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).