(3R)-1-acetyl-N-[2-(2-fluorophenyl)-2-methylpropyl]piperidine-3-carboxamide

C18H25FN2O2 — CID 94818335

IUPAC(3R)-1-acetyl-N-[2-(2-fluorophenyl)-2-methylpropyl]piperidine-3-carboxamide
SMILESCC(=O)N1CCC[C@@H](C(=O)NCC(C)(C)c2ccccc2F)C1
InChIInChI=1S/C18H25FN2O2/c1-13(22)21-10-6-7-14(11-21)17(23)20-12-18(2,3)15-8-4-5-9-16(15)19/h4-5,8-9,14H,6-7,10-12H2,1-3H3,(H,20,23)/t14-/m1/s1
InChIKeyMREYTIAMCURZDN-CQSZACIVSA-N
MW320.41 g/mol
LogP2.48
Rot. Bonds4

About (3R)-1-acetyl-N-[2-(2-fluorophenyl)-2-methylpropyl]piperidine-3-carboxamide

(3R)-1-acetyl-N-[2-(2-fluorophenyl)-2-methylpropyl]piperidine-3-carboxamide (PubChem CID 94818335) has the molecular formula C18H25FN2O2 and a molecular weight of 320.41 g/mol. Its IUPAC name is (3R)-1-acetyl-N-[2-(2-fluorophenyl)-2-methylpropyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-acetyl-N-[2-(2-fluorophenyl)-2-methylpropyl]piperidine-3-carboxamide
PubChem CID94818335
Molecular FormulaC18H25FN2O2
Molecular Weight320.41 g/mol
Exact Mass320.19
IUPAC Name(3R)-1-acetyl-N-[2-(2-fluorophenyl)-2-methylpropyl]piperidine-3-carboxamide
SMILESCC(=O)N1CCC[C@@H](C(=O)NCC(C)(C)c2ccccc2F)C1
InChIInChI=1S/C18H25FN2O2/c1-13(22)21-10-6-7-14(11-21)17(23)20-12-18(2,3)15-8-4-5-9-16(15)19/h4-5,8-9,14H,6-7,10-12H2,1-3H3,(H,20,23)/t14-/m1/s1
InChIKeyMREYTIAMCURZDN-CQSZACIVSA-N
XLogP2.48
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-acetyl-N-[2-(2-fluorophenyl)-2-methylpropyl]pyrrolidine-3-carboxamide
CID 110246572
N-[2-(2-fluorophenyl)-2-methylpropyl]-1-methylpyrrolidine-3-carboxamide
CID 110246573
(3S)-N-[2-(2-fluorophenyl)-2-methylpropyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 52507745
N-[2-(2-fluorophenyl)-2-methylpropyl]azetidine-3-carboxamide
CID 115159146
(3R)-1-acetyl-N-[2-(4-fluorophenyl)-2-methylpropyl]pyrrolidine-3-carboxamide
CID 92633544
1-acetyl-N-(2-tert-butylphenyl)piperidine-3-carboxamide
CID 110686139
N-(2-aminoethyl)-1-[2-(2-fluorophenyl)-2-methylpropanoyl]piperidine-3-carboxamide;hydrochloride
CID 119480744
(3S)-3-[2-(2-fluorophenyl)propan-2-ylcarbamoyl]piperidine-1-carboxylic acid
CID 121481769
(3R)-1-acetyl-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 9270503
N-[2-(2-fluorophenyl)-2-methylpropyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119313402
N-[2-(2-fluorophenyl)-2-methylpropyl]-5-oxopyrrolidine-2-carboxamide
CID 110445241
(3R)-1-acetyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 94434549

Frequently Asked Questions

What is the IUPAC name of (3R)-1-acetyl-N-[2-(2-fluorophenyl)-2-methylpropyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-acetyl-N-[2-(2-fluorophenyl)-2-methylpropyl]piperidine-3-carboxamide (CID 94818335) is (3R)-1-acetyl-N-[2-(2-fluorophenyl)-2-methylpropyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-acetyl-N-[2-(2-fluorophenyl)-2-methylpropyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-acetyl-N-[2-(2-fluorophenyl)-2-methylpropyl]piperidine-3-carboxamide is CC(=O)N1CCC[C@@H](C(=O)NCC(C)(C)c2ccccc2F)C1.
What is the InChIKey of (3R)-1-acetyl-N-[2-(2-fluorophenyl)-2-methylpropyl]piperidine-3-carboxamide?
The InChIKey is MREYTIAMCURZDN-CQSZACIVSA-N. The full InChI is InChI=1S/C18H25FN2O2/c1-13(22)21-10-6-7-14(11-21)17(23)20-12-18(2,3)15-8-4-5-9-16(15)19/h4-5,8-9,14H,6-7,10-12H2,1-3H3,(H,20,23)/t14-/m1/s1.
What are the key properties of (3R)-1-acetyl-N-[2-(2-fluorophenyl)-2-methylpropyl]piperidine-3-carboxamide?
(3R)-1-acetyl-N-[2-(2-fluorophenyl)-2-methylpropyl]piperidine-3-carboxamide has a molecular weight of 320.41 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-acetyl-N-[2-(2-fluorophenyl)-2-methylpropyl]piperidine-3-carboxamide is sourced from PubChem (CID 94818335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).