(3R)-3-[[(3R)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]-methylamino]oxolan-2-one

C16H24N4O3 — CID 95606596

IUPAC(3R)-3-[[(3R)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]-methylamino]oxolan-2-one
SMILESCN([C@@H]1CCCN(Cc2noc(C3CC3)n2)C1)[C@@H]1CCOC1=O
InChIInChI=1S/C16H24N4O3/c1-19(13-6-8-22-16(13)21)12-3-2-7-20(9-12)10-14-17-15(23-18-14)11-4-5-11/h11-13H,2-10H2,1H3/t12-,13-/m1/s1
InChIKeyPIOBIEBWOZXEAK-CHWSQXEVSA-N
MW320.39 g/mol
LogP1.16
Rot. Bonds5

About (3R)-3-[[(3R)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]-methylamino]oxolan-2-one

(3R)-3-[[(3R)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]-methylamino]oxolan-2-one (PubChem CID 95606596) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is (3R)-3-[[(3R)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]-methylamino]oxolan-2-one.

Molecular Properties

Compound Name(3R)-3-[[(3R)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]-methylamino]oxolan-2-one
PubChem CID95606596
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name(3R)-3-[[(3R)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]-methylamino]oxolan-2-one
SMILESCN([C@@H]1CCCN(Cc2noc(C3CC3)n2)C1)[C@@H]1CCOC1=O
InChIInChI=1S/C16H24N4O3/c1-19(13-6-8-22-16(13)21)12-3-2-7-20(9-12)10-14-17-15(23-18-14)11-4-5-11/h11-13H,2-10H2,1H3/t12-,13-/m1/s1
InChIKeyPIOBIEBWOZXEAK-CHWSQXEVSA-N
XLogP1.16
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (3R)-3-[[(3R)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]-methylamino]oxolan-2-one with MolForge

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Related Compounds

(3S)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-3-amine
CID 95978626
1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpiperidin-3-amine
CID 54595428
(3R)-3-[(3S)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]oxolan-2-one
CID 97217430
(3S)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-N-[(1R)-1-pyridin-3-ylethyl]piperidin-3-amine
CID 129461449
N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine
CID 56802392
(3R)-N-(cyclopropylmethyl)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine
CID 95295290
(3R)-N-(cyclopentylmethyl)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine
CID 95337828
1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-(2-methylprop-2-enyl)piperidin-3-amine
CID 56781035
1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N,N-dimethylpiperidin-3-amine;dihydrochloride
CID 120752789
(2S)-N-cyclopropyl-2-[[(3R)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]propanamide
CID 95308501
[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]methanol
CID 62372084
(3S,4R)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-3,4-diol
CID 115278431

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[(3R)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]-methylamino]oxolan-2-one?
The IUPAC name of (3R)-3-[[(3R)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]-methylamino]oxolan-2-one (CID 95606596) is (3R)-3-[[(3R)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]-methylamino]oxolan-2-one.
What is the SMILES notation for (3R)-3-[[(3R)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]-methylamino]oxolan-2-one?
The canonical SMILES for (3R)-3-[[(3R)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]-methylamino]oxolan-2-one is CN([C@@H]1CCCN(Cc2noc(C3CC3)n2)C1)[C@@H]1CCOC1=O.
What is the InChIKey of (3R)-3-[[(3R)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]-methylamino]oxolan-2-one?
The InChIKey is PIOBIEBWOZXEAK-CHWSQXEVSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-19(13-6-8-22-16(13)21)12-3-2-7-20(9-12)10-14-17-15(23-18-14)11-4-5-11/h11-13H,2-10H2,1H3/t12-,13-/m1/s1.
What are the key properties of (3R)-3-[[(3R)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]-methylamino]oxolan-2-one?
(3R)-3-[[(3R)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]-methylamino]oxolan-2-one has a molecular weight of 320.39 g/mol, XLogP of 1.16, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[(3R)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]-methylamino]oxolan-2-one is sourced from PubChem (CID 95606596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).