N'-[[(2R,5S)-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]-3-methylpiperidine-1-carboximidamide

C17H27N5O2 — CID 120974109

IUPACN'-[[(2R,5S)-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]-3-methylpiperidine-1-carboximidamide
SMILESCC1CCCN(/C(N)=N/C[C@H]2CC[C@@H](c3nc(C4CC4)no3)O2)C1
InChIInChI=1S/C17H27N5O2/c1-11-3-2-8-22(10-11)17(18)19-9-13-6-7-14(23-13)16-20-15(21-24-16)12-4-5-12/h11-14H,2-10H2,1H3,(H2,18,19)/t11?,13-,14+/m1/s1
InChIKeyAMFBILAVGBOWSG-WLPIGLKUSA-N
MW333.44 g/mol
LogP2.21
Rot. Bonds4

About N'-[[(2R,5S)-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]-3-methylpiperidine-1-carboximidamide

N'-[[(2R,5S)-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]-3-methylpiperidine-1-carboximidamide (PubChem CID 120974109) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is N'-[[(2R,5S)-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]-3-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[[(2R,5S)-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]-3-methylpiperidine-1-carboximidamide
PubChem CID120974109
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC NameN'-[[(2R,5S)-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]-3-methylpiperidine-1-carboximidamide
SMILESCC1CCCN(/C(N)=N/C[C@H]2CC[C@@H](c3nc(C4CC4)no3)O2)C1
InChIInChI=1S/C17H27N5O2/c1-11-3-2-8-22(10-11)17(18)19-9-13-6-7-14(23-13)16-20-15(21-24-16)12-4-5-12/h11-14H,2-10H2,1H3,(H2,18,19)/t11?,13-,14+/m1/s1
InChIKeyAMFBILAVGBOWSG-WLPIGLKUSA-N
XLogP2.21
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

[(2R,5S)-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methanamine
CID 119031140
2-[[(2R,5S)-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]-1-phenylguanidine;hydroiodide
CID 120974082
2-[[(2R,5S)-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)guanidine
CID 120974091
1-[[(2R,5S)-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]-2-methylguanidine
CID 120974105
3-methyl-N'-[(4-methylmorpholin-2-yl)methyl]piperidine-1-carboximidamide
CID 111091304
[5-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methanamine;hydrochloride
CID 128964535
N'-[(2-cyclopropyl-1,3-oxazol-5-yl)methyl]-3-methylpiperidine-1-carboximidamide
CID 122098058
3-methyl-N'-[[4-(2-methylpropyl)morpholin-2-yl]methyl]piperidine-1-carboximidamide
CID 111032592
3-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]piperidine-1-carboximidamide
CID 111076809
(3R)-N'-[[(3S,9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-yl]methyl]-3-methylpiperidine-1-carboximidamide
CID 97101612
3-methyl-N'-[(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 119147070
3-methyl-N'-[3-(4-methylpiperidin-1-yl)propyl]piperidine-1-carboximidamide
CID 111034873

Frequently Asked Questions

What is the IUPAC name of N'-[[(2R,5S)-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]-3-methylpiperidine-1-carboximidamide?
The IUPAC name of N'-[[(2R,5S)-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]-3-methylpiperidine-1-carboximidamide (CID 120974109) is N'-[[(2R,5S)-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]-3-methylpiperidine-1-carboximidamide.
What is the SMILES notation for N'-[[(2R,5S)-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]-3-methylpiperidine-1-carboximidamide?
The canonical SMILES for N'-[[(2R,5S)-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]-3-methylpiperidine-1-carboximidamide is CC1CCCN(/C(N)=N/C[C@H]2CC[C@@H](c3nc(C4CC4)no3)O2)C1.
What is the InChIKey of N'-[[(2R,5S)-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]-3-methylpiperidine-1-carboximidamide?
The InChIKey is AMFBILAVGBOWSG-WLPIGLKUSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-11-3-2-8-22(10-11)17(18)19-9-13-6-7-14(23-13)16-20-15(21-24-16)12-4-5-12/h11-14H,2-10H2,1H3,(H2,18,19)/t11?,13-,14+/m1/s1.
What are the key properties of N'-[[(2R,5S)-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]-3-methylpiperidine-1-carboximidamide?
N'-[[(2R,5S)-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]-3-methylpiperidine-1-carboximidamide has a molecular weight of 333.44 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[(2R,5S)-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]-3-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 120974109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).