N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-pyridin-2-ylpiperidin-4-amine

C21H31N5O2 — CID 129338337

IUPACN-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-pyridin-2-ylpiperidin-4-amine
SMILESCC(C)c1noc([C@H](NC2CCN(c3ccccn3)CC2)C2CCOCC2)n1
InChIInChI=1S/C21H31N5O2/c1-15(2)20-24-21(28-25-20)19(16-8-13-27-14-9-16)23-17-6-11-26(12-7-17)18-5-3-4-10-22-18/h3-5,10,15-17,19,23H,6-9,11-14H2,1-2H3/t19-/m1/s1
InChIKeyUGNGQHJAOVLVOB-LJQANCHMSA-N
MW385.51 g/mol
LogP3.31
Rot. Bonds6

About N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-pyridin-2-ylpiperidin-4-amine

N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-pyridin-2-ylpiperidin-4-amine (PubChem CID 129338337) has the molecular formula C21H31N5O2 and a molecular weight of 385.51 g/mol. Its IUPAC name is N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-pyridin-2-ylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-pyridin-2-ylpiperidin-4-amine
PubChem CID129338337
Molecular FormulaC21H31N5O2
Molecular Weight385.51 g/mol
Exact Mass385.25
IUPAC NameN-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-pyridin-2-ylpiperidin-4-amine
SMILESCC(C)c1noc([C@H](NC2CCN(c3ccccn3)CC2)C2CCOCC2)n1
InChIInChI=1S/C21H31N5O2/c1-15(2)20-24-21(28-25-20)19(16-8-13-27-14-9-16)23-17-6-11-26(12-7-17)18-5-3-4-10-22-18/h3-5,10,15-17,19,23H,6-9,11-14H2,1-2H3/t19-/m1/s1
InChIKeyUGNGQHJAOVLVOB-LJQANCHMSA-N
XLogP3.31
TPSA76.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-pyridin-2-ylpiperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1-phenylpiperidin-4-amine
CID 128982422
N-ethyl-4-[[(S)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]piperidine-1-carboxamide
CID 129340387
3-cyclopropyl-N-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-amine
CID 128965578
N-[cyclopropyl(phenyl)methyl]-1-pyridin-2-ylpiperidin-4-amine
CID 119164879
N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine
CID 129329023
(2R)-2-[(1-pyridin-2-ylpiperidin-4-yl)amino]propan-1-ol
CID 113260445
2-N-(1-pyridin-2-ylpiperidin-4-yl)propane-1,2-diamine
CID 103387990
N-(oxepan-4-yl)-1-pyridin-2-ylpiperidin-4-amine
CID 65082180
N-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzoxazol-2-amine
CID 128993450
1-(2-methoxyphenyl)-N-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine
CID 128966955
(2S)-1-(2-methoxyphenyl)-N-[(S)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine
CID 129341816
(2S)-2-[[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-2-phenylacetamide
CID 129472264

Frequently Asked Questions

What is the IUPAC name of N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-pyridin-2-ylpiperidin-4-amine?
The IUPAC name of N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-pyridin-2-ylpiperidin-4-amine (CID 129338337) is N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-pyridin-2-ylpiperidin-4-amine.
What is the SMILES notation for N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-pyridin-2-ylpiperidin-4-amine?
The canonical SMILES for N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-pyridin-2-ylpiperidin-4-amine is CC(C)c1noc([C@H](NC2CCN(c3ccccn3)CC2)C2CCOCC2)n1.
What is the InChIKey of N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-pyridin-2-ylpiperidin-4-amine?
The InChIKey is UGNGQHJAOVLVOB-LJQANCHMSA-N. The full InChI is InChI=1S/C21H31N5O2/c1-15(2)20-24-21(28-25-20)19(16-8-13-27-14-9-16)23-17-6-11-26(12-7-17)18-5-3-4-10-22-18/h3-5,10,15-17,19,23H,6-9,11-14H2,1-2H3/t19-/m1/s1.
What are the key properties of N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-pyridin-2-ylpiperidin-4-amine?
N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-pyridin-2-ylpiperidin-4-amine has a molecular weight of 385.51 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-pyridin-2-ylpiperidin-4-amine is sourced from PubChem (CID 129338337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).