N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-2-piperidin-1-ylacetamide

C22H34FN3O — CID 25461385

IUPACN-[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-2-piperidin-1-ylacetamide
SMILESCN(CC1CCN(CCc2ccccc2F)CC1)C(=O)CN1CCCCC1
InChIInChI=1S/C22H34FN3O/c1-24(22(27)18-26-12-5-2-6-13-26)17-19-9-14-25(15-10-19)16-11-20-7-3-4-8-21(20)23/h3-4,7-8,19H,2,5-6,9-18H2,1H3
InChIKeyZXXOXCZVPFHGPE-UHFFFAOYSA-N
MW375.53 g/mol
LogP3.02
Rot. Bonds7

About N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-2-piperidin-1-ylacetamide

N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-2-piperidin-1-ylacetamide (PubChem CID 25461385) has the molecular formula C22H34FN3O and a molecular weight of 375.53 g/mol. Its IUPAC name is N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-2-piperidin-1-ylacetamide
PubChem CID25461385
Molecular FormulaC22H34FN3O
Molecular Weight375.53 g/mol
Exact Mass375.27
IUPAC NameN-[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-2-piperidin-1-ylacetamide
SMILESCN(CC1CCN(CCc2ccccc2F)CC1)C(=O)CN1CCCCC1
InChIInChI=1S/C22H34FN3O/c1-24(22(27)18-26-12-5-2-6-13-26)17-19-9-14-25(15-10-19)16-11-20-7-3-4-8-21(20)23/h3-4,7-8,19H,2,5-6,9-18H2,1H3
InChIKeyZXXOXCZVPFHGPE-UHFFFAOYSA-N
XLogP3.02
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.53
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methyl-methylcarbamoyl]benzoate
CID 25446804
(2S)-N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methylspiro[2.5]octane-2-carboxamide
CID 25447069
(2R)-N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methylspiro[2.5]octane-2-carboxamide
CID 25447065
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,2-dimethylfuran-3-carboxamide
CID 42241898
N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methylspiro[2.4]heptane-2-carboxamide
CID 45213154
N-[[(3S)-1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-3-morpholin-4-ylpropanamide
CID 26332764
1-N'-[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methyl]-1-N'-methylcyclopropane-1,1-dicarboxamide
CID 42564854
2-(2,4-dioxopyrimidin-1-yl)-N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methylacetamide
CID 72837777
3-(2-fluorophenyl)-N-[[(3S)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methylpropanamide
CID 42402093
N-(cyclopropylmethyl)-3-(2-fluorophenyl)-N-methylpropanamide
CID 94158892
N-[[(3S)-1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-3-pyridin-2-ylpropanamide
CID 25278684

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-2-piperidin-1-ylacetamide?
The IUPAC name of N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-2-piperidin-1-ylacetamide (CID 25461385) is N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-2-piperidin-1-ylacetamide?
The canonical SMILES for N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-2-piperidin-1-ylacetamide is CN(CC1CCN(CCc2ccccc2F)CC1)C(=O)CN1CCCCC1.
What is the InChIKey of N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-2-piperidin-1-ylacetamide?
The InChIKey is ZXXOXCZVPFHGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34FN3O/c1-24(22(27)18-26-12-5-2-6-13-26)17-19-9-14-25(15-10-19)16-11-20-7-3-4-8-21(20)23/h3-4,7-8,19H,2,5-6,9-18H2,1H3.
What are the key properties of N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-2-piperidin-1-ylacetamide?
N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-2-piperidin-1-ylacetamide has a molecular weight of 375.53 g/mol, XLogP of 3.02, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-2-piperidin-1-ylacetamide is sourced from PubChem (CID 25461385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).