N-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-2-imidazol-1-ylacetamide

C21H29FN4O — CID 45228521

IUPACN-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-2-imidazol-1-ylacetamide
SMILESCCN(CC1CCCN(CCc2cccc(F)c2)C1)C(=O)Cn1ccnc1
InChIInChI=1S/C21H29FN4O/c1-2-26(21(27)16-25-12-9-23-17-25)15-19-6-4-10-24(14-19)11-8-18-5-3-7-20(22)13-18/h3,5,7,9,12-13,17,19H,2,4,6,8,10-11,14-16H2,1H3
InChIKeyCOMCUGFWYABRQR-UHFFFAOYSA-N
MW372.49 g/mol
LogP2.83
Rot. Bonds8

About N-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-2-imidazol-1-ylacetamide

N-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-2-imidazol-1-ylacetamide (PubChem CID 45228521) has the molecular formula C21H29FN4O and a molecular weight of 372.49 g/mol. Its IUPAC name is N-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-2-imidazol-1-ylacetamide.

Molecular Properties

Compound NameN-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-2-imidazol-1-ylacetamide
PubChem CID45228521
Molecular FormulaC21H29FN4O
Molecular Weight372.49 g/mol
Exact Mass372.23
IUPAC NameN-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-2-imidazol-1-ylacetamide
SMILESCCN(CC1CCCN(CCc2cccc(F)c2)C1)C(=O)Cn1ccnc1
InChIInChI=1S/C21H29FN4O/c1-2-26(21(27)16-25-12-9-23-17-25)15-19-6-4-10-24(14-19)11-8-18-5-3-7-20(22)13-18/h3,5,7,9,12-13,17,19H,2,4,6,8,10-11,14-16H2,1H3
InChIKeyCOMCUGFWYABRQR-UHFFFAOYSA-N
XLogP2.83
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-2-(3-methylpyrazol-1-yl)acetamide
CID 45216720
N-ethyl-N-[[(3R)-1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]cyclopropanecarboxamide
CID 42393054
N-ethyl-N-[[(3S)-1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-1-methylpiperidine-4-carboxamide
CID 42594720
N-ethyl-N-[[(3R)-1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-4-methyl-2-oxopentanamide
CID 42557076
N-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 45235384
N-ethyl-N-[[(3S)-1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 97283913
N,5-diethyl-N-[[(3S)-1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-1H-pyrrole-2-carboxamide
CID 97275993
N-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide
CID 56701966
N-ethyl-N-[[(3S)-1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-1H-indole-5-carboxamide
CID 42157128
2-(dimethylamino)-N-ethyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]acetamide
CID 45229441
N-ethyl-2-methoxy-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]acetamide
CID 45218660
N-ethyl-N-[[(3S)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-2-methylsulfanylacetamide
CID 42401697

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-2-imidazol-1-ylacetamide?
The IUPAC name of N-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-2-imidazol-1-ylacetamide (CID 45228521) is N-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-2-imidazol-1-ylacetamide.
What is the SMILES notation for N-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-2-imidazol-1-ylacetamide?
The canonical SMILES for N-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-2-imidazol-1-ylacetamide is CCN(CC1CCCN(CCc2cccc(F)c2)C1)C(=O)Cn1ccnc1.
What is the InChIKey of N-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-2-imidazol-1-ylacetamide?
The InChIKey is COMCUGFWYABRQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29FN4O/c1-2-26(21(27)16-25-12-9-23-17-25)15-19-6-4-10-24(14-19)11-8-18-5-3-7-20(22)13-18/h3,5,7,9,12-13,17,19H,2,4,6,8,10-11,14-16H2,1H3.
What are the key properties of N-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-2-imidazol-1-ylacetamide?
N-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-2-imidazol-1-ylacetamide has a molecular weight of 372.49 g/mol, XLogP of 2.83, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-2-imidazol-1-ylacetamide is sourced from PubChem (CID 45228521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).