N-[(2R)-2-(4-fluorophenyl)-2-methoxyethyl]-4-imidazol-1-ylpiperidine-1-carboxamide

C18H23FN4O2 — CID 96999492

IUPACN-[(2R)-2-(4-fluorophenyl)-2-methoxyethyl]-4-imidazol-1-ylpiperidine-1-carboxamide
SMILESCO[C@@H](CNC(=O)N1CCC(n2ccnc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C18H23FN4O2/c1-25-17(14-2-4-15(19)5-3-14)12-21-18(24)22-9-6-16(7-10-22)23-11-8-20-13-23/h2-5,8,11,13,16-17H,6-7,9-10,12H2,1H3,(H,21,24)/t17-/m0/s1
InChIKeyFWZOMBBBVZRJTD-KRWDZBQOSA-N
MW346.41 g/mol
LogP2.76
Rot. Bonds5

About N-[(2R)-2-(4-fluorophenyl)-2-methoxyethyl]-4-imidazol-1-ylpiperidine-1-carboxamide

N-[(2R)-2-(4-fluorophenyl)-2-methoxyethyl]-4-imidazol-1-ylpiperidine-1-carboxamide (PubChem CID 96999492) has the molecular formula C18H23FN4O2 and a molecular weight of 346.41 g/mol. Its IUPAC name is N-[(2R)-2-(4-fluorophenyl)-2-methoxyethyl]-4-imidazol-1-ylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(4-fluorophenyl)-2-methoxyethyl]-4-imidazol-1-ylpiperidine-1-carboxamide
PubChem CID96999492
Molecular FormulaC18H23FN4O2
Molecular Weight346.41 g/mol
Exact Mass346.18
IUPAC NameN-[(2R)-2-(4-fluorophenyl)-2-methoxyethyl]-4-imidazol-1-ylpiperidine-1-carboxamide
SMILESCO[C@@H](CNC(=O)N1CCC(n2ccnc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C18H23FN4O2/c1-25-17(14-2-4-15(19)5-3-14)12-21-18(24)22-9-6-16(7-10-22)23-11-8-20-13-23/h2-5,8,11,13,16-17H,6-7,9-10,12H2,1H3,(H,21,24)/t17-/m0/s1
InChIKeyFWZOMBBBVZRJTD-KRWDZBQOSA-N
XLogP2.76
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-[(4-imidazol-1-ylpiperidine-1-carbonyl)amino]propanoic acid
CID 67154491
(3R)-N-[(2S)-2-(4-fluorophenyl)-2-methoxyethyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 124607681
N-[2-(4-fluorophenyl)-2-methoxyethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
CID 139005521
N-[2-(4-fluorophenyl)-2-methoxyethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 71867519
N-(4-hydroxy-2,2-dimethylpentyl)-4-imidazol-1-ylpiperidine-1-carboxamide
CID 111507302
N-[(1S)-1-(5-ethylfuran-2-yl)-2-methoxyethyl]-4-imidazol-1-ylpiperidine-1-carboxamide
CID 96996552
N-[(1R)-1-(5-ethylfuran-2-yl)-2-methoxyethyl]-4-imidazol-1-ylpiperidine-1-carboxamide
CID 96996551
4-imidazol-1-yl-N-[(1R,2R)-2-methoxycyclohexyl]piperidine-1-carboxamide
CID 96999534
4-imidazol-1-yl-N-[(1S,2S)-2-methoxycyclohexyl]piperidine-1-carboxamide
CID 96999533
[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-(4-imidazol-1-ylpiperidin-1-yl)methanone
CID 47089042
4-imidazol-1-yl-N-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]piperidine-1-carboxamide
CID 97021838
N-[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-4-imidazol-1-ylpiperidine-1-carboxamide
CID 139013069

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(4-fluorophenyl)-2-methoxyethyl]-4-imidazol-1-ylpiperidine-1-carboxamide?
The IUPAC name of N-[(2R)-2-(4-fluorophenyl)-2-methoxyethyl]-4-imidazol-1-ylpiperidine-1-carboxamide (CID 96999492) is N-[(2R)-2-(4-fluorophenyl)-2-methoxyethyl]-4-imidazol-1-ylpiperidine-1-carboxamide.
What is the SMILES notation for N-[(2R)-2-(4-fluorophenyl)-2-methoxyethyl]-4-imidazol-1-ylpiperidine-1-carboxamide?
The canonical SMILES for N-[(2R)-2-(4-fluorophenyl)-2-methoxyethyl]-4-imidazol-1-ylpiperidine-1-carboxamide is CO[C@@H](CNC(=O)N1CCC(n2ccnc2)CC1)c1ccc(F)cc1.
What is the InChIKey of N-[(2R)-2-(4-fluorophenyl)-2-methoxyethyl]-4-imidazol-1-ylpiperidine-1-carboxamide?
The InChIKey is FWZOMBBBVZRJTD-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H23FN4O2/c1-25-17(14-2-4-15(19)5-3-14)12-21-18(24)22-9-6-16(7-10-22)23-11-8-20-13-23/h2-5,8,11,13,16-17H,6-7,9-10,12H2,1H3,(H,21,24)/t17-/m0/s1.
What are the key properties of N-[(2R)-2-(4-fluorophenyl)-2-methoxyethyl]-4-imidazol-1-ylpiperidine-1-carboxamide?
N-[(2R)-2-(4-fluorophenyl)-2-methoxyethyl]-4-imidazol-1-ylpiperidine-1-carboxamide has a molecular weight of 346.41 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(4-fluorophenyl)-2-methoxyethyl]-4-imidazol-1-ylpiperidine-1-carboxamide is sourced from PubChem (CID 96999492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).