3-(2-ethylimidazol-1-yl)-N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylpropanamide

C21H29FN4O — CID 42097680

IUPAC3-(2-ethylimidazol-1-yl)-N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylpropanamide
SMILESCCc1nccn1CCC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2F)C1
InChIInChI=1S/C21H29FN4O/c1-3-20-23-11-14-26(20)13-10-21(27)24(2)18-8-6-12-25(16-18)15-17-7-4-5-9-19(17)22/h4-5,7,9,11,14,18H,3,6,8,10,12-13,15-16H2,1-2H3/t18-/m1/s1
InChIKeyNPKOLHSDQGRYHQ-GOSISDBHSA-N
MW372.49 g/mol
LogP3.10
Rot. Bonds7

About 3-(2-ethylimidazol-1-yl)-N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylpropanamide

3-(2-ethylimidazol-1-yl)-N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylpropanamide (PubChem CID 42097680) has the molecular formula C21H29FN4O and a molecular weight of 372.49 g/mol. Its IUPAC name is 3-(2-ethylimidazol-1-yl)-N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylpropanamide.

Molecular Properties

Compound Name3-(2-ethylimidazol-1-yl)-N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylpropanamide
PubChem CID42097680
Molecular FormulaC21H29FN4O
Molecular Weight372.49 g/mol
Exact Mass372.23
IUPAC Name3-(2-ethylimidazol-1-yl)-N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylpropanamide
SMILESCCc1nccn1CCC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2F)C1
InChIInChI=1S/C21H29FN4O/c1-3-20-23-11-14-26(20)13-10-21(27)24(2)18-8-6-12-25(16-18)15-17-7-4-5-9-19(17)22/h4-5,7,9,11,14,18H,3,6,8,10,12-13,15-16H2,1-2H3/t18-/m1/s1
InChIKeyNPKOLHSDQGRYHQ-GOSISDBHSA-N
XLogP3.10
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-ethylimidazol-1-yl)-N-methyl-N-[(3R)-1-pyridin-2-ylpiperidin-3-yl]propanamide
CID 124939708
3-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide
CID 45186883
N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-(2-methoxyphenoxy)-N-methylacetamide
CID 42381909
N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 24791341
N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,5-dimethylpyrazine-2-carboxamide
CID 42459876
N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,5-dimethylpyrazine-2-carboxamide
CID 42459871
N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-methoxy-N-methylpyridine-3-carboxamide
CID 45219753
2-(ethylamino)-N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylpyrimidine-5-carboxamide
CID 95716393
1-(2-aminoethyl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyltriazole-4-carboxamide
CID 56911407
1-(2-aminoethyl)-N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyltriazole-4-carboxamide
CID 95894612
2-(3,4-dimethoxyphenyl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylacetamide
CID 23723336
4-N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-N,1-N,4-N-trimethylpiperidine-1,4-dicarboxamide
CID 42300426

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylimidazol-1-yl)-N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylpropanamide?
The IUPAC name of 3-(2-ethylimidazol-1-yl)-N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylpropanamide (CID 42097680) is 3-(2-ethylimidazol-1-yl)-N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylpropanamide.
What is the SMILES notation for 3-(2-ethylimidazol-1-yl)-N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylpropanamide?
The canonical SMILES for 3-(2-ethylimidazol-1-yl)-N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylpropanamide is CCc1nccn1CCC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2F)C1.
What is the InChIKey of 3-(2-ethylimidazol-1-yl)-N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylpropanamide?
The InChIKey is NPKOLHSDQGRYHQ-GOSISDBHSA-N. The full InChI is InChI=1S/C21H29FN4O/c1-3-20-23-11-14-26(20)13-10-21(27)24(2)18-8-6-12-25(16-18)15-17-7-4-5-9-19(17)22/h4-5,7,9,11,14,18H,3,6,8,10,12-13,15-16H2,1-2H3/t18-/m1/s1.
What are the key properties of 3-(2-ethylimidazol-1-yl)-N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylpropanamide?
3-(2-ethylimidazol-1-yl)-N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylpropanamide has a molecular weight of 372.49 g/mol, XLogP of 3.10, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylimidazol-1-yl)-N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylpropanamide is sourced from PubChem (CID 42097680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).