3-[(4-fluorophenoxy)methyl]-N-(2-imidazol-1-ylethyl)piperidine-1-carboxamide

C18H23FN4O2 — CID 119071193

IUPAC3-[(4-fluorophenoxy)methyl]-N-(2-imidazol-1-ylethyl)piperidine-1-carboxamide
SMILESO=C(NCCn1ccnc1)N1CCCC(COc2ccc(F)cc2)C1
InChIInChI=1S/C18H23FN4O2/c19-16-3-5-17(6-4-16)25-13-15-2-1-9-23(12-15)18(24)21-8-11-22-10-7-20-14-22/h3-7,10,14-15H,1-2,8-9,11-13H2,(H,21,24)
InChIKeyBTBNBHHJTMHWEH-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.52
Rot. Bonds6

About 3-[(4-fluorophenoxy)methyl]-N-(2-imidazol-1-ylethyl)piperidine-1-carboxamide

3-[(4-fluorophenoxy)methyl]-N-(2-imidazol-1-ylethyl)piperidine-1-carboxamide (PubChem CID 119071193) has the molecular formula C18H23FN4O2 and a molecular weight of 346.41 g/mol. Its IUPAC name is 3-[(4-fluorophenoxy)methyl]-N-(2-imidazol-1-ylethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-[(4-fluorophenoxy)methyl]-N-(2-imidazol-1-ylethyl)piperidine-1-carboxamide
PubChem CID119071193
Molecular FormulaC18H23FN4O2
Molecular Weight346.41 g/mol
Exact Mass346.18
IUPAC Name3-[(4-fluorophenoxy)methyl]-N-(2-imidazol-1-ylethyl)piperidine-1-carboxamide
SMILESO=C(NCCn1ccnc1)N1CCCC(COc2ccc(F)cc2)C1
InChIInChI=1S/C18H23FN4O2/c19-16-3-5-17(6-4-16)25-13-15-2-1-9-23(12-15)18(24)21-8-11-22-10-7-20-14-22/h3-7,10,14-15H,1-2,8-9,11-13H2,(H,21,24)
InChIKeyBTBNBHHJTMHWEH-UHFFFAOYSA-N
XLogP2.52
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-4-imidazol-1-ylbutan-1-one
CID 70707433
1-[(3R)-3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-3-(1,2,4-triazol-4-yl)propan-1-one
CID 96579568
2-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-5-(imidazol-1-ylmethyl)pyridine
CID 70717549
1-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 70760398
(3S)-N-(1-cyclopropylcyclopropyl)-3-[(4-fluorophenoxy)methyl]piperidine-1-carboxamide
CID 125441231
N-[4-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-4-oxobutyl]acetamide
CID 70767223
(2,6-dimethoxyphenyl)-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone
CID 110638674
(4S)-N-(2-imidazol-1-ylethyl)-4-phenylazepane-1-carboxamide
CID 95186692
(1-ethylpyrazol-3-yl)-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone
CID 70744049
1-[(3R)-3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-3-(2-methylpyrazol-3-yl)propan-1-one
CID 126454145
[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-(4-hydroxycyclohexyl)methanone
CID 70738185
N-(2-cyanoethyl)-3-[[4-(4,5-difluoro-2-methoxyphenyl)phenoxy]methyl]piperidine-1-carboxamide
CID 67151504

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenoxy)methyl]-N-(2-imidazol-1-ylethyl)piperidine-1-carboxamide?
The IUPAC name of 3-[(4-fluorophenoxy)methyl]-N-(2-imidazol-1-ylethyl)piperidine-1-carboxamide (CID 119071193) is 3-[(4-fluorophenoxy)methyl]-N-(2-imidazol-1-ylethyl)piperidine-1-carboxamide.
What is the SMILES notation for 3-[(4-fluorophenoxy)methyl]-N-(2-imidazol-1-ylethyl)piperidine-1-carboxamide?
The canonical SMILES for 3-[(4-fluorophenoxy)methyl]-N-(2-imidazol-1-ylethyl)piperidine-1-carboxamide is O=C(NCCn1ccnc1)N1CCCC(COc2ccc(F)cc2)C1.
What is the InChIKey of 3-[(4-fluorophenoxy)methyl]-N-(2-imidazol-1-ylethyl)piperidine-1-carboxamide?
The InChIKey is BTBNBHHJTMHWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O2/c19-16-3-5-17(6-4-16)25-13-15-2-1-9-23(12-15)18(24)21-8-11-22-10-7-20-14-22/h3-7,10,14-15H,1-2,8-9,11-13H2,(H,21,24).
What are the key properties of 3-[(4-fluorophenoxy)methyl]-N-(2-imidazol-1-ylethyl)piperidine-1-carboxamide?
3-[(4-fluorophenoxy)methyl]-N-(2-imidazol-1-ylethyl)piperidine-1-carboxamide has a molecular weight of 346.41 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenoxy)methyl]-N-(2-imidazol-1-ylethyl)piperidine-1-carboxamide is sourced from PubChem (CID 119071193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).