(2-fluoro-4-methoxyphenyl)-[(3S)-3-imidazol-1-ylpiperidin-1-yl]methanone

C16H18FN3O2 — CID 95341019

IUPAC(2-fluoro-4-methoxyphenyl)-[(3S)-3-imidazol-1-ylpiperidin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCC[C@H](n3ccnc3)C2)c(F)c1
InChIInChI=1S/C16H18FN3O2/c1-22-13-4-5-14(15(17)9-13)16(21)19-7-2-3-12(10-19)20-8-6-18-11-20/h4-6,8-9,11-12H,2-3,7,10H2,1H3/t12-/m0/s1
InChIKeyGSGYWXSBNQRSGP-LBPRGKRZSA-N
MW303.34 g/mol
LogP2.51
Rot. Bonds3

About (2-fluoro-4-methoxyphenyl)-[(3S)-3-imidazol-1-ylpiperidin-1-yl]methanone

(2-fluoro-4-methoxyphenyl)-[(3S)-3-imidazol-1-ylpiperidin-1-yl]methanone (PubChem CID 95341019) has the molecular formula C16H18FN3O2 and a molecular weight of 303.34 g/mol. Its IUPAC name is (2-fluoro-4-methoxyphenyl)-[(3S)-3-imidazol-1-ylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-fluoro-4-methoxyphenyl)-[(3S)-3-imidazol-1-ylpiperidin-1-yl]methanone
PubChem CID95341019
Molecular FormulaC16H18FN3O2
Molecular Weight303.34 g/mol
Exact Mass303.14
IUPAC Name(2-fluoro-4-methoxyphenyl)-[(3S)-3-imidazol-1-ylpiperidin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCC[C@H](n3ccnc3)C2)c(F)c1
InChIInChI=1S/C16H18FN3O2/c1-22-13-4-5-14(15(17)9-13)16(21)19-7-2-3-12(10-19)20-8-6-18-11-20/h4-6,8-9,11-12H,2-3,7,10H2,1H3/t12-/m0/s1
InChIKeyGSGYWXSBNQRSGP-LBPRGKRZSA-N
XLogP2.51
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S)-3-imidazol-1-ylpiperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 95340983
azocan-1-yl-(2-fluoro-4-methoxyphenyl)methanone
CID 113218844
[3-(2-aminoethyl)piperidin-1-yl]-(2-fluoro-4-methoxyphenyl)methanone
CID 102884020
[(3R)-3-imidazol-1-ylpiperidin-1-yl]-[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methanone
CID 95349952
(2-fluoro-4-methoxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 103804906
(4-fluoro-3-methyl-1-benzothiophen-2-yl)-[(3R)-3-imidazol-1-ylpiperidin-1-yl]methanone
CID 95312877
(2,6-dimethylquinolin-3-yl)-[(3S)-3-imidazol-1-ylpiperidin-1-yl]methanone
CID 95325581
(3-chloro-4,5-dimethoxyphenyl)-[(3R)-3-imidazol-1-ylpiperidin-1-yl]methanone
CID 95314255
[(3R)-3-imidazol-1-ylpiperidin-1-yl]-(2-phenoxy-3-pyridinyl)methanone
CID 95314140
(2-fluoro-4-methoxyphenyl)-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]methanone
CID 55555717
[5-[4-(2-aminoethyl)phenoxy]-2-fluorophenyl]-(3-imidazol-1-ylpyrrolidin-1-yl)methanone
CID 171386030
[3-(aminomethyl)pyrrolidin-1-yl]-(2-fluoro-4-methoxyphenyl)methanone
CID 113265524

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-4-methoxyphenyl)-[(3S)-3-imidazol-1-ylpiperidin-1-yl]methanone?
The IUPAC name of (2-fluoro-4-methoxyphenyl)-[(3S)-3-imidazol-1-ylpiperidin-1-yl]methanone (CID 95341019) is (2-fluoro-4-methoxyphenyl)-[(3S)-3-imidazol-1-ylpiperidin-1-yl]methanone.
What is the SMILES notation for (2-fluoro-4-methoxyphenyl)-[(3S)-3-imidazol-1-ylpiperidin-1-yl]methanone?
The canonical SMILES for (2-fluoro-4-methoxyphenyl)-[(3S)-3-imidazol-1-ylpiperidin-1-yl]methanone is COc1ccc(C(=O)N2CCC[C@H](n3ccnc3)C2)c(F)c1.
What is the InChIKey of (2-fluoro-4-methoxyphenyl)-[(3S)-3-imidazol-1-ylpiperidin-1-yl]methanone?
The InChIKey is GSGYWXSBNQRSGP-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H18FN3O2/c1-22-13-4-5-14(15(17)9-13)16(21)19-7-2-3-12(10-19)20-8-6-18-11-20/h4-6,8-9,11-12H,2-3,7,10H2,1H3/t12-/m0/s1.
What are the key properties of (2-fluoro-4-methoxyphenyl)-[(3S)-3-imidazol-1-ylpiperidin-1-yl]methanone?
(2-fluoro-4-methoxyphenyl)-[(3S)-3-imidazol-1-ylpiperidin-1-yl]methanone has a molecular weight of 303.34 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-4-methoxyphenyl)-[(3S)-3-imidazol-1-ylpiperidin-1-yl]methanone is sourced from PubChem (CID 95341019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).