N-(2,2-difluoroethyl)-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]acetamide

C15H23F2N3O2 — CID 175648462

IUPACN-(2,2-difluoroethyl)-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]acetamide
SMILESCc1noc(C)c1CN1CCC(CC(=O)NCC(F)F)CC1
InChIInChI=1S/C15H23F2N3O2/c1-10-13(11(2)22-19-10)9-20-5-3-12(4-6-20)7-15(21)18-8-14(16)17/h12,14H,3-9H2,1-2H3,(H,18,21)
InChIKeyUHSSLSAKBSMRNP-UHFFFAOYSA-N
MW315.36 g/mol
LogP2.27
Rot. Bonds6

About N-(2,2-difluoroethyl)-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]acetamide

N-(2,2-difluoroethyl)-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]acetamide (PubChem CID 175648462) has the molecular formula C15H23F2N3O2 and a molecular weight of 315.36 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]acetamide
PubChem CID175648462
Molecular FormulaC15H23F2N3O2
Molecular Weight315.36 g/mol
Exact Mass315.18
IUPAC NameN-(2,2-difluoroethyl)-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]acetamide
SMILESCc1noc(C)c1CN1CCC(CC(=O)NCC(F)F)CC1
InChIInChI=1S/C15H23F2N3O2/c1-10-13(11(2)22-19-10)9-20-5-3-12(4-6-20)7-15(21)18-8-14(16)17/h12,14H,3-9H2,1-2H3,(H,18,21)
InChIKeyUHSSLSAKBSMRNP-UHFFFAOYSA-N
XLogP2.27
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.36
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2,2-difluoroethyl)-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]acetamide with MolForge

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Related Compounds

N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]propane-1-sulfonamide
CID 37362654
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]-2-methylbutanamide
CID 75527495
(2R)-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]-2-methylbutanamide
CID 98042032
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-amine;hydrochloride
CID 119907958
1-amino-N-[[(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-yl]methyl]cyclobutane-1-carboxamide
CID 95211190
N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]methyl]-2-methylpropan-2-amine
CID 63849125
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazine-1-carboxylic acid
CID 66621937
1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-2-methyl-3-(methylamino)propan-1-one
CID 119857198
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]-2-phenylacetamide
CID 75461556
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]cyclopropanesulfonamide
CID 154583218
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 75527444
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-ol
CID 56828639

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]acetamide?
The IUPAC name of N-(2,2-difluoroethyl)-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]acetamide (CID 175648462) is N-(2,2-difluoroethyl)-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-(2,2-difluoroethyl)-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]acetamide is Cc1noc(C)c1CN1CCC(CC(=O)NCC(F)F)CC1.
What is the InChIKey of N-(2,2-difluoroethyl)-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]acetamide?
The InChIKey is UHSSLSAKBSMRNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2N3O2/c1-10-13(11(2)22-19-10)9-20-5-3-12(4-6-20)7-15(21)18-8-14(16)17/h12,14H,3-9H2,1-2H3,(H,18,21).
What are the key properties of N-(2,2-difluoroethyl)-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]acetamide?
N-(2,2-difluoroethyl)-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]acetamide has a molecular weight of 315.36 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 175648462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).