(3S,5R)-3-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-5-methyloxolan-2-one

C15H24N4O2 — CID 129426368

IUPAC(3S,5R)-3-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-5-methyloxolan-2-one
SMILESCc1nc(C)n(C[C@@H]2CCCCN2[C@H]2C[C@@H](C)OC2=O)n1
InChIInChI=1S/C15H24N4O2/c1-10-8-14(15(20)21-10)18-7-5-4-6-13(18)9-19-12(3)16-11(2)17-19/h10,13-14H,4-9H2,1-3H3/t10-,13+,14+/m1/s1
InChIKeyWAVPTVRSRJMKGI-SWHYSGLUSA-N
MW292.38 g/mol
LogP1.45
Rot. Bonds3

About (3S,5R)-3-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-5-methyloxolan-2-one

(3S,5R)-3-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-5-methyloxolan-2-one (PubChem CID 129426368) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is (3S,5R)-3-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-5-methyloxolan-2-one.

Molecular Properties

Compound Name(3S,5R)-3-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-5-methyloxolan-2-one
PubChem CID129426368
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name(3S,5R)-3-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-5-methyloxolan-2-one
SMILESCc1nc(C)n(C[C@@H]2CCCCN2[C@H]2C[C@@H](C)OC2=O)n1
InChIInChI=1S/C15H24N4O2/c1-10-8-14(15(20)21-10)18-7-5-4-6-13(18)9-19-12(3)16-11(2)17-19/h10,13-14H,4-9H2,1-3H3/t10-,13+,14+/m1/s1
InChIKeyWAVPTVRSRJMKGI-SWHYSGLUSA-N
XLogP1.45
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3S,5R)-3-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-5-methyloxolan-2-one 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

(3R)-3-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]oxolan-2-one
CID 95318994
(3S,5R)-3-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]morpholin-4-yl]-5-methyloxolan-2-one
CID 98768795
(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1-(2-methylprop-2-enyl)piperidine
CID 95305553
1-[3-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]propyl]pyrrolidin-2-one
CID 95340619
5-[[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole
CID 95308402
(3S)-3-[(3S)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]oxolan-2-one
CID 98761633
(3S)-3-[(3R)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]oxolan-2-one
CID 129425528
6-[[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 95307044
5-[[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 95305610
2-[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]-1-morpholin-4-ylethanone
CID 95291830
4-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]butanenitrile
CID 95352436
2-[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]-1,3-benzoxazole
CID 95289224

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-3-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-5-methyloxolan-2-one?
The IUPAC name of (3S,5R)-3-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-5-methyloxolan-2-one (CID 129426368) is (3S,5R)-3-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-5-methyloxolan-2-one.
What is the SMILES notation for (3S,5R)-3-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-5-methyloxolan-2-one?
The canonical SMILES for (3S,5R)-3-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-5-methyloxolan-2-one is Cc1nc(C)n(C[C@@H]2CCCCN2[C@H]2C[C@@H](C)OC2=O)n1.
What is the InChIKey of (3S,5R)-3-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-5-methyloxolan-2-one?
The InChIKey is WAVPTVRSRJMKGI-SWHYSGLUSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-10-8-14(15(20)21-10)18-7-5-4-6-13(18)9-19-12(3)16-11(2)17-19/h10,13-14H,4-9H2,1-3H3/t10-,13+,14+/m1/s1.
What are the key properties of (3S,5R)-3-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-5-methyloxolan-2-one?
(3S,5R)-3-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-5-methyloxolan-2-one has a molecular weight of 292.38 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-3-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-5-methyloxolan-2-one is sourced from PubChem (CID 129426368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).