3-[1-[1-[2-[(2S)-piperidin-2-yl]ethyl]triazole-4-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one

C18H28N6O3 — CID 96579039

IUPAC3-[1-[1-[2-[(2S)-piperidin-2-yl]ethyl]triazole-4-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESO=C(c1cn(CC[C@@H]2CCCCN2)nn1)N1CCC(N2CCOC2=O)CC1
InChIInChI=1S/C18H28N6O3/c25-17(22-8-5-15(6-9-22)24-11-12-27-18(24)26)16-13-23(21-20-16)10-4-14-3-1-2-7-19-14/h13-15,19H,1-12H2/t14-/m0/s1
InChIKeyJSVUMKBVVPJAAO-AWEZNQCLSA-N
MW376.46 g/mol
LogP0.87
Rot. Bonds5

About 3-[1-[1-[2-[(2S)-piperidin-2-yl]ethyl]triazole-4-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one

3-[1-[1-[2-[(2S)-piperidin-2-yl]ethyl]triazole-4-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 96579039) has the molecular formula C18H28N6O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is 3-[1-[1-[2-[(2S)-piperidin-2-yl]ethyl]triazole-4-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[1-[1-[2-[(2S)-piperidin-2-yl]ethyl]triazole-4-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID96579039
Molecular FormulaC18H28N6O3
Molecular Weight376.46 g/mol
Exact Mass376.22
IUPAC Name3-[1-[1-[2-[(2S)-piperidin-2-yl]ethyl]triazole-4-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESO=C(c1cn(CC[C@@H]2CCCCN2)nn1)N1CCC(N2CCOC2=O)CC1
InChIInChI=1S/C18H28N6O3/c25-17(22-8-5-15(6-9-22)24-11-12-27-18(24)26)16-13-23(21-20-16)10-4-14-3-1-2-7-19-14/h13-15,19H,1-12H2/t14-/m0/s1
InChIKeyJSVUMKBVVPJAAO-AWEZNQCLSA-N
XLogP0.87
TPSA92.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[1-[1-[2-[(2S)-piperidin-2-yl]ethyl]triazole-4-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

6-[1-(2-piperidin-2-ylethyl)triazole-4-carbonyl]-1,2,4,5,7,8-hexahydropyrazolo[3,4-d]azepin-3-one
CID 70786975
[1-(2-piperidin-2-ylethyl)triazol-4-yl]-[4-(pyridin-2-ylamino)piperidin-1-yl]methanone
CID 70717153
N-(oxan-4-yl)-1-[2-[(2R)-piperidin-2-yl]ethyl]triazole-4-carboxamide
CID 96573576
[1-(2-piperidin-2-ylethyl)triazol-4-yl]-(2-pyridin-3-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone;hydrochloride
CID 171710821
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide
CID 70755345
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide
CID 70766008
1-(2-piperidin-2-ylethyl)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)triazole-4-carboxamide
CID 70727559
N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-[2-[(2R)-piperidin-2-yl]ethyl]triazole-4-carboxamide
CID 95875073
N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide
CID 70724429
N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide
CID 131950023
N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methyl-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide
CID 70760529
[3-(2-methylpiperidin-1-yl)azetidin-1-yl]-[1-(2-piperazin-1-ylethyl)triazol-4-yl]methanone
CID 70742447

Frequently Asked Questions

What is the IUPAC name of 3-[1-[1-[2-[(2S)-piperidin-2-yl]ethyl]triazole-4-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[1-[1-[2-[(2S)-piperidin-2-yl]ethyl]triazole-4-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one (CID 96579039) is 3-[1-[1-[2-[(2S)-piperidin-2-yl]ethyl]triazole-4-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[1-[1-[2-[(2S)-piperidin-2-yl]ethyl]triazole-4-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[1-[1-[2-[(2S)-piperidin-2-yl]ethyl]triazole-4-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one is O=C(c1cn(CC[C@@H]2CCCCN2)nn1)N1CCC(N2CCOC2=O)CC1.
What is the InChIKey of 3-[1-[1-[2-[(2S)-piperidin-2-yl]ethyl]triazole-4-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is JSVUMKBVVPJAAO-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H28N6O3/c25-17(22-8-5-15(6-9-22)24-11-12-27-18(24)26)16-13-23(21-20-16)10-4-14-3-1-2-7-19-14/h13-15,19H,1-12H2/t14-/m0/s1.
What are the key properties of 3-[1-[1-[2-[(2S)-piperidin-2-yl]ethyl]triazole-4-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
3-[1-[1-[2-[(2S)-piperidin-2-yl]ethyl]triazole-4-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 376.46 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[1-[2-[(2S)-piperidin-2-yl]ethyl]triazole-4-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 96579039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).