(8aR)-3-oxo-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide

C18H25N5O3 — CID 126439155

IUPAC(8aR)-3-oxo-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide
SMILESO=C(NC1CCN(Cc2cccnc2)CC1)N1CCN2C(=O)OC[C@H]2C1
InChIInChI=1S/C18H25N5O3/c24-17(22-8-9-23-16(12-22)13-26-18(23)25)20-15-3-6-21(7-4-15)11-14-2-1-5-19-10-14/h1-2,5,10,15-16H,3-4,6-9,11-13H2,(H,20,24)/t16-/m1/s1
InChIKeyJVDUSBKWTBNIGG-MRXNPFEDSA-N
MW359.43 g/mol
LogP0.89
Rot. Bonds3

About (8aR)-3-oxo-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide

(8aR)-3-oxo-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide (PubChem CID 126439155) has the molecular formula C18H25N5O3 and a molecular weight of 359.43 g/mol. Its IUPAC name is (8aR)-3-oxo-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide.

Molecular Properties

Compound Name(8aR)-3-oxo-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide
PubChem CID126439155
Molecular FormulaC18H25N5O3
Molecular Weight359.43 g/mol
Exact Mass359.20
IUPAC Name(8aR)-3-oxo-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide
SMILESO=C(NC1CCN(Cc2cccnc2)CC1)N1CCN2C(=O)OC[C@H]2C1
InChIInChI=1S/C18H25N5O3/c24-17(22-8-9-23-16(12-22)13-26-18(23)25)20-15-3-6-21(7-4-15)11-14-2-1-5-19-10-14/h1-2,5,10,15-16H,3-4,6-9,11-13H2,(H,20,24)/t16-/m1/s1
InChIKeyJVDUSBKWTBNIGG-MRXNPFEDSA-N
XLogP0.89
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (8aR)-3-oxo-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide 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

2-pyridin-3-yl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide
CID 91774888
(2R)-2-amino-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]propanamide;hydrochloride
CID 120872926
N-cyclopropyl-2-(pyridin-3-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane-10-carboxamide
CID 134070752
N',N'-diethyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]butanediamide
CID 154795042
3-[[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]methyl]pyridine
CID 91916522
9-amino-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120989928
N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]quinoline-3-carboxamide
CID 171061363
piperidin-1-yl-[1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 56870645
2-cyclopropyl-N-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]pyrimidin-4-amine
CID 172900331
azocan-1-yl-[(3R)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 96573815
[6-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]amino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 134707525
(3R,5S)-N-(1-benzylpiperidin-4-yl)-3,5-dimethylpiperidine-1-carboxamide
CID 94493957

Frequently Asked Questions

What is the IUPAC name of (8aR)-3-oxo-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide?
The IUPAC name of (8aR)-3-oxo-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide (CID 126439155) is (8aR)-3-oxo-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide.
What is the SMILES notation for (8aR)-3-oxo-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide?
The canonical SMILES for (8aR)-3-oxo-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide is O=C(NC1CCN(Cc2cccnc2)CC1)N1CCN2C(=O)OC[C@H]2C1.
What is the InChIKey of (8aR)-3-oxo-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide?
The InChIKey is JVDUSBKWTBNIGG-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H25N5O3/c24-17(22-8-9-23-16(12-22)13-26-18(23)25)20-15-3-6-21(7-4-15)11-14-2-1-5-19-10-14/h1-2,5,10,15-16H,3-4,6-9,11-13H2,(H,20,24)/t16-/m1/s1.
What are the key properties of (8aR)-3-oxo-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide?
(8aR)-3-oxo-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8aR)-3-oxo-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide is sourced from PubChem (CID 126439155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).