(2R)-N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methylspiro[2.5]octane-2-carboxamide

C24H35FN2O — CID 25447065

IUPAC(2R)-N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methylspiro[2.5]octane-2-carboxamide
SMILESCN(CC1CCN(CCc2ccccc2F)CC1)C(=O)[C@@H]1CC12CCCCC2
InChIInChI=1S/C24H35FN2O/c1-26(23(28)21-17-24(21)12-5-2-6-13-24)18-19-9-14-27(15-10-19)16-11-20-7-3-4-8-22(20)25/h3-4,7-8,19,21H,2,5-6,9-18H2,1H3/t21-/m0/s1
InChIKeyFIYNFTWCWYQADN-NRFANRHFSA-N
MW386.56 g/mol
LogP4.51
Rot. Bonds6

About (2R)-N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methylspiro[2.5]octane-2-carboxamide

(2R)-N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methylspiro[2.5]octane-2-carboxamide (PubChem CID 25447065) has the molecular formula C24H35FN2O and a molecular weight of 386.56 g/mol. Its IUPAC name is (2R)-N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methylspiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methylspiro[2.5]octane-2-carboxamide
PubChem CID25447065
Molecular FormulaC24H35FN2O
Molecular Weight386.56 g/mol
Exact Mass386.27
IUPAC Name(2R)-N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methylspiro[2.5]octane-2-carboxamide
SMILESCN(CC1CCN(CCc2ccccc2F)CC1)C(=O)[C@@H]1CC12CCCCC2
InChIInChI=1S/C24H35FN2O/c1-26(23(28)21-17-24(21)12-5-2-6-13-24)18-19-9-14-27(15-10-19)16-11-20-7-3-4-8-22(20)25/h3-4,7-8,19,21H,2,5-6,9-18H2,1H3/t21-/m0/s1
InChIKeyFIYNFTWCWYQADN-NRFANRHFSA-N
XLogP4.51
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.56
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methylspiro[2.5]octane-2-carboxamide
CID 25447069
N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methylspiro[2.4]heptane-2-carboxamide
CID 45213154
N-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-N-methylspiro[2.5]octane-2-carboxamide
CID 45213997
N-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-N-methylspiro[2.3]hexane-2-carboxamide
CID 45187565
N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyloxolane-2-carboxamide
CID 45210723
N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-2-piperidin-1-ylacetamide
CID 25461385
1-N'-[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methyl]-1-N'-methylcyclopropane-1,1-dicarboxamide
CID 42564854
N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N,2-dimethylfuran-3-carboxamide
CID 42241898
methyl 4-[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methyl-methylcarbamoyl]benzoate
CID 25446804
(E)-N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methyl]-3-(furan-2-yl)-N-methylprop-2-enamide
CID 26326658
N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-2-(methylamino)pyridine-4-carboxamide
CID 72901178
N-[[(3S)-1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-3-morpholin-4-ylpropanamide
CID 26332764

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methylspiro[2.5]octane-2-carboxamide?
The IUPAC name of (2R)-N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methylspiro[2.5]octane-2-carboxamide (CID 25447065) is (2R)-N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methylspiro[2.5]octane-2-carboxamide.
What is the SMILES notation for (2R)-N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methylspiro[2.5]octane-2-carboxamide?
The canonical SMILES for (2R)-N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methylspiro[2.5]octane-2-carboxamide is CN(CC1CCN(CCc2ccccc2F)CC1)C(=O)[C@@H]1CC12CCCCC2.
What is the InChIKey of (2R)-N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methylspiro[2.5]octane-2-carboxamide?
The InChIKey is FIYNFTWCWYQADN-NRFANRHFSA-N. The full InChI is InChI=1S/C24H35FN2O/c1-26(23(28)21-17-24(21)12-5-2-6-13-24)18-19-9-14-27(15-10-19)16-11-20-7-3-4-8-22(20)25/h3-4,7-8,19,21H,2,5-6,9-18H2,1H3/t21-/m0/s1.
What are the key properties of (2R)-N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methylspiro[2.5]octane-2-carboxamide?
(2R)-N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methylspiro[2.5]octane-2-carboxamide has a molecular weight of 386.56 g/mol, XLogP of 4.51, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methylspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 25447065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).