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

C17H21FN4O — CID 96523860

IUPAC(2S)-1-[(4-fluorophenyl)methyl]-N-(1H-imidazol-2-ylmethyl)piperidine-2-carboxamide
SMILESO=C(NCc1ncc[nH]1)[C@@H]1CCCCN1Cc1ccc(F)cc1
InChIInChI=1S/C17H21FN4O/c18-14-6-4-13(5-7-14)12-22-10-2-1-3-15(22)17(23)21-11-16-19-8-9-20-16/h4-9,15H,1-3,10-12H2,(H,19,20)(H,21,23)/t15-/m0/s1
InChIKeyPJHXSCMXRSEDFS-HNNXBMFYSA-N
MW316.38 g/mol
LogP2.22
Rot. Bonds5

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

(2S)-1-[(4-fluorophenyl)methyl]-N-(1H-imidazol-2-ylmethyl)piperidine-2-carboxamide (PubChem CID 96523860) has the molecular formula C17H21FN4O and a molecular weight of 316.38 g/mol. Its IUPAC name is (2S)-1-[(4-fluorophenyl)methyl]-N-(1H-imidazol-2-ylmethyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[(4-fluorophenyl)methyl]-N-(1H-imidazol-2-ylmethyl)piperidine-2-carboxamide
PubChem CID96523860
Molecular FormulaC17H21FN4O
Molecular Weight316.38 g/mol
Exact Mass316.17
IUPAC Name(2S)-1-[(4-fluorophenyl)methyl]-N-(1H-imidazol-2-ylmethyl)piperidine-2-carboxamide
SMILESO=C(NCc1ncc[nH]1)[C@@H]1CCCCN1Cc1ccc(F)cc1
InChIInChI=1S/C17H21FN4O/c18-14-6-4-13(5-7-14)12-22-10-2-1-3-15(22)17(23)21-11-16-19-8-9-20-16/h4-9,15H,1-3,10-12H2,(H,19,20)(H,21,23)/t15-/m0/s1
InChIKeyPJHXSCMXRSEDFS-HNNXBMFYSA-N
XLogP2.22
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(4-fluorophenyl)methyl]-N-(1H-imidazol-2-ylmethyl)piperidine-2-carboxamide?
The IUPAC name of (2S)-1-[(4-fluorophenyl)methyl]-N-(1H-imidazol-2-ylmethyl)piperidine-2-carboxamide (CID 96523860) is (2S)-1-[(4-fluorophenyl)methyl]-N-(1H-imidazol-2-ylmethyl)piperidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[(4-fluorophenyl)methyl]-N-(1H-imidazol-2-ylmethyl)piperidine-2-carboxamide?
The canonical SMILES for (2S)-1-[(4-fluorophenyl)methyl]-N-(1H-imidazol-2-ylmethyl)piperidine-2-carboxamide is O=C(NCc1ncc[nH]1)[C@@H]1CCCCN1Cc1ccc(F)cc1.
What is the InChIKey of (2S)-1-[(4-fluorophenyl)methyl]-N-(1H-imidazol-2-ylmethyl)piperidine-2-carboxamide?
The InChIKey is PJHXSCMXRSEDFS-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H21FN4O/c18-14-6-4-13(5-7-14)12-22-10-2-1-3-15(22)17(23)21-11-16-19-8-9-20-16/h4-9,15H,1-3,10-12H2,(H,19,20)(H,21,23)/t15-/m0/s1.
What are the key properties of (2S)-1-[(4-fluorophenyl)methyl]-N-(1H-imidazol-2-ylmethyl)piperidine-2-carboxamide?
(2S)-1-[(4-fluorophenyl)methyl]-N-(1H-imidazol-2-ylmethyl)piperidine-2-carboxamide has a molecular weight of 316.38 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(4-fluorophenyl)methyl]-N-(1H-imidazol-2-ylmethyl)piperidine-2-carboxamide is sourced from PubChem (CID 96523860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).