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

C20H27FN4O — CID 91838315

IUPACN-[2-(4-fluorophenyl)ethyl]-2-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]acetamide
SMILESCc1nccn1CC1CCN(CC(=O)NCCc2ccc(F)cc2)CC1
InChIInChI=1S/C20H27FN4O/c1-16-22-10-13-25(16)14-18-7-11-24(12-8-18)15-20(26)23-9-6-17-2-4-19(21)5-3-17/h2-5,10,13,18H,6-9,11-12,14-15H2,1H3,(H,23,26)
InChIKeyMGASKSPFHBOQFT-UHFFFAOYSA-N
MW358.46 g/mol
LogP2.40
Rot. Bonds7

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

N-[2-(4-fluorophenyl)ethyl]-2-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]acetamide (PubChem CID 91838315) has the molecular formula C20H27FN4O and a molecular weight of 358.46 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-2-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-2-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]acetamide
PubChem CID91838315
Molecular FormulaC20H27FN4O
Molecular Weight358.46 g/mol
Exact Mass358.22
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-2-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]acetamide
SMILESCc1nccn1CC1CCN(CC(=O)NCCc2ccc(F)cc2)CC1
InChIInChI=1S/C20H27FN4O/c1-16-22-10-13-25(16)14-18-7-11-24(12-8-18)15-20(26)23-9-6-17-2-4-19(21)5-3-17/h2-5,10,13,18H,6-9,11-12,14-15H2,1H3,(H,23,26)
InChIKeyMGASKSPFHBOQFT-UHFFFAOYSA-N
XLogP2.40
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-methylimidazol-1-yl)methyl]-N-(2-phenylethyl)piperidine-1-carboxamide
CID 71781142
N-(4-acetamidophenyl)-2-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]acetamide
CID 90494672
N-(2-ethoxyphenyl)-2-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]acetamide
CID 90494653
1-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]piperidine-4-carboxamide
CID 8531156
2-(azepan-1-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 644372
N-[2-(4-fluorophenyl)ethyl]-2-[4-(methanesulfonamido)piperidin-1-yl]acetamide
CID 91843173
1-[(4-fluorophenyl)methylsulfonyl]-4-[(2-methylimidazol-1-yl)methyl]piperidine
CID 71781160
1-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 55837389
N-[(4-fluorophenyl)methyl]-2-[4-(imidazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 90493771
2-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 90494621
N-(2,5-dimethoxyphenyl)-2-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]acetamide
CID 90494656
2-(4-cyclopentyl-1,4-diazepan-1-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 136527123

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]acetamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]acetamide (CID 91838315) is N-[2-(4-fluorophenyl)ethyl]-2-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]acetamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-2-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]acetamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-2-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]acetamide is Cc1nccn1CC1CCN(CC(=O)NCCc2ccc(F)cc2)CC1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-2-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]acetamide?
The InChIKey is MGASKSPFHBOQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN4O/c1-16-22-10-13-25(16)14-18-7-11-24(12-8-18)15-20(26)23-9-6-17-2-4-19(21)5-3-17/h2-5,10,13,18H,6-9,11-12,14-15H2,1H3,(H,23,26).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-2-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]acetamide?
N-[2-(4-fluorophenyl)ethyl]-2-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]acetamide has a molecular weight of 358.46 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-2-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]acetamide is sourced from PubChem (CID 91838315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).