(2S)-N-[(4-fluorophenyl)methyl]-2-(2-imidazol-1-ylethyl)piperidine-1-carboxamide

C18H23FN4O — CID 95722375

IUPAC(2S)-N-[(4-fluorophenyl)methyl]-2-(2-imidazol-1-ylethyl)piperidine-1-carboxamide
SMILESO=C(NCc1ccc(F)cc1)N1CCCC[C@H]1CCn1ccnc1
InChIInChI=1S/C18H23FN4O/c19-16-6-4-15(5-7-16)13-21-18(24)23-10-2-1-3-17(23)8-11-22-12-9-20-14-22/h4-7,9,12,14,17H,1-3,8,10-11,13H2,(H,21,24)/t17-/m0/s1
InChIKeyHJEDRYONUYERME-KRWDZBQOSA-N
MW330.41 g/mol
LogP3.18
Rot. Bonds5

About (2S)-N-[(4-fluorophenyl)methyl]-2-(2-imidazol-1-ylethyl)piperidine-1-carboxamide

(2S)-N-[(4-fluorophenyl)methyl]-2-(2-imidazol-1-ylethyl)piperidine-1-carboxamide (PubChem CID 95722375) has the molecular formula C18H23FN4O and a molecular weight of 330.41 g/mol. Its IUPAC name is (2S)-N-[(4-fluorophenyl)methyl]-2-(2-imidazol-1-ylethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(4-fluorophenyl)methyl]-2-(2-imidazol-1-ylethyl)piperidine-1-carboxamide
PubChem CID95722375
Molecular FormulaC18H23FN4O
Molecular Weight330.41 g/mol
Exact Mass330.19
IUPAC Name(2S)-N-[(4-fluorophenyl)methyl]-2-(2-imidazol-1-ylethyl)piperidine-1-carboxamide
SMILESO=C(NCc1ccc(F)cc1)N1CCCC[C@H]1CCn1ccnc1
InChIInChI=1S/C18H23FN4O/c19-16-6-4-15(5-7-16)13-21-18(24)23-10-2-1-3-17(23)8-11-22-12-9-20-14-22/h4-7,9,12,14,17H,1-3,8,10-11,13H2,(H,21,24)/t17-/m0/s1
InChIKeyHJEDRYONUYERME-KRWDZBQOSA-N
XLogP3.18
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(2-imidazol-1-ylethyl)piperidine-1-carboxamide
CID 125441252
(2S)-2-(2-imidazol-1-ylethyl)-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]piperidine-1-carboxamide
CID 126435717
N-[(4-methylphenyl)methyl]-2-(2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide
CID 56914375
(2R)-N-[(4-methylphenyl)methyl]-2-(2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide
CID 95728102
(2S)-N-(2-chloro-6-methylphenyl)-2-(2-imidazol-1-ylethyl)piperidine-1-carboxamide
CID 95716356
N-(2-chloro-6-methylphenyl)-2-(2-imidazol-1-ylethyl)piperidine-1-carboxamide
CID 56902565
[(2S)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]-(5-methyl-1H-imidazol-2-yl)methanone
CID 99990711
N-[2-(4-fluorophenyl)ethyl]-2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carboxamide
CID 56890665
(2R)-N-[(4-methylphenyl)methyl]-2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carboxamide
CID 95712196
(2S)-N-[(4-methylphenyl)methyl]-2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carboxamide
CID 95712197
(7-fluoro-2-methylquinolin-4-yl)-[2-(2-imidazol-1-ylethyl)piperidin-1-yl]methanone
CID 70748469
N-[(3-fluorophenyl)methyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide
CID 108898597

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(4-fluorophenyl)methyl]-2-(2-imidazol-1-ylethyl)piperidine-1-carboxamide?
The IUPAC name of (2S)-N-[(4-fluorophenyl)methyl]-2-(2-imidazol-1-ylethyl)piperidine-1-carboxamide (CID 95722375) is (2S)-N-[(4-fluorophenyl)methyl]-2-(2-imidazol-1-ylethyl)piperidine-1-carboxamide.
What is the SMILES notation for (2S)-N-[(4-fluorophenyl)methyl]-2-(2-imidazol-1-ylethyl)piperidine-1-carboxamide?
The canonical SMILES for (2S)-N-[(4-fluorophenyl)methyl]-2-(2-imidazol-1-ylethyl)piperidine-1-carboxamide is O=C(NCc1ccc(F)cc1)N1CCCC[C@H]1CCn1ccnc1.
What is the InChIKey of (2S)-N-[(4-fluorophenyl)methyl]-2-(2-imidazol-1-ylethyl)piperidine-1-carboxamide?
The InChIKey is HJEDRYONUYERME-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H23FN4O/c19-16-6-4-15(5-7-16)13-21-18(24)23-10-2-1-3-17(23)8-11-22-12-9-20-14-22/h4-7,9,12,14,17H,1-3,8,10-11,13H2,(H,21,24)/t17-/m0/s1.
What are the key properties of (2S)-N-[(4-fluorophenyl)methyl]-2-(2-imidazol-1-ylethyl)piperidine-1-carboxamide?
(2S)-N-[(4-fluorophenyl)methyl]-2-(2-imidazol-1-ylethyl)piperidine-1-carboxamide has a molecular weight of 330.41 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(4-fluorophenyl)methyl]-2-(2-imidazol-1-ylethyl)piperidine-1-carboxamide is sourced from PubChem (CID 95722375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).