N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,4-dimethyl-1,2,5-oxadiazole-3-carboxamide

C17H21FN4O2 — CID 31053388

IUPACN-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,4-dimethyl-1,2,5-oxadiazole-3-carboxamide
SMILESCc1nonc1C(=O)N(C)[C@H]1CCCN(Cc2ccccc2F)C1
InChIInChI=1S/C17H21FN4O2/c1-12-16(20-24-19-12)17(23)21(2)14-7-5-9-22(11-14)10-13-6-3-4-8-15(13)18/h3-4,6,8,14H,5,7,9-11H2,1-2H3/t14-/m0/s1
InChIKeyJTFQFQHKSFSPDX-AWEZNQCLSA-N
MW332.38 g/mol
LogP2.25
Rot. Bonds4

About N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,4-dimethyl-1,2,5-oxadiazole-3-carboxamide

N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,4-dimethyl-1,2,5-oxadiazole-3-carboxamide (PubChem CID 31053388) has the molecular formula C17H21FN4O2 and a molecular weight of 332.38 g/mol. Its IUPAC name is N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,4-dimethyl-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,4-dimethyl-1,2,5-oxadiazole-3-carboxamide
PubChem CID31053388
Molecular FormulaC17H21FN4O2
Molecular Weight332.38 g/mol
Exact Mass332.16
IUPAC NameN-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,4-dimethyl-1,2,5-oxadiazole-3-carboxamide
SMILESCc1nonc1C(=O)N(C)[C@H]1CCCN(Cc2ccccc2F)C1
InChIInChI=1S/C17H21FN4O2/c1-12-16(20-24-19-12)17(23)21(2)14-7-5-9-22(11-14)10-13-6-3-4-8-15(13)18/h3-4,6,8,14H,5,7,9-11H2,1-2H3/t14-/m0/s1
InChIKeyJTFQFQHKSFSPDX-AWEZNQCLSA-N
XLogP2.25
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,4-dimethyl-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,4-dimethyl-1,2,5-oxadiazole-3-carboxamide (CID 31053388) is N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,4-dimethyl-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,4-dimethyl-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,4-dimethyl-1,2,5-oxadiazole-3-carboxamide is Cc1nonc1C(=O)N(C)[C@H]1CCCN(Cc2ccccc2F)C1.
What is the InChIKey of N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,4-dimethyl-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is JTFQFQHKSFSPDX-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H21FN4O2/c1-12-16(20-24-19-12)17(23)21(2)14-7-5-9-22(11-14)10-13-6-3-4-8-15(13)18/h3-4,6,8,14H,5,7,9-11H2,1-2H3/t14-/m0/s1.
What are the key properties of N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,4-dimethyl-1,2,5-oxadiazole-3-carboxamide?
N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,4-dimethyl-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 332.38 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,4-dimethyl-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 31053388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).