N-[[(3R)-1-(2-oxo-3H-1,3-oxazole-4-carbonyl)piperidin-3-yl]methyl]oxane-2-carboxamide

C16H23N3O5 — CID 154876476

IUPACN-[[(3R)-1-(2-oxo-3H-1,3-oxazole-4-carbonyl)piperidin-3-yl]methyl]oxane-2-carboxamide
SMILESO=C(NC[C@H]1CCCN(C(=O)c2coc(=O)[nH]2)C1)C1CCCCO1
InChIInChI=1S/C16H23N3O5/c20-14(13-5-1-2-7-23-13)17-8-11-4-3-6-19(9-11)15(21)12-10-24-16(22)18-12/h10-11,13H,1-9H2,(H,17,20)(H,18,22)/t11-,13?/m1/s1
InChIKeyVTGAAOKUGAOKMC-JTDNENJMSA-N
MW337.38 g/mol
LogP0.51
Rot. Bonds4

About N-[[(3R)-1-(2-oxo-3H-1,3-oxazole-4-carbonyl)piperidin-3-yl]methyl]oxane-2-carboxamide

N-[[(3R)-1-(2-oxo-3H-1,3-oxazole-4-carbonyl)piperidin-3-yl]methyl]oxane-2-carboxamide (PubChem CID 154876476) has the molecular formula C16H23N3O5 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-[[(3R)-1-(2-oxo-3H-1,3-oxazole-4-carbonyl)piperidin-3-yl]methyl]oxane-2-carboxamide.

Molecular Properties

Compound NameN-[[(3R)-1-(2-oxo-3H-1,3-oxazole-4-carbonyl)piperidin-3-yl]methyl]oxane-2-carboxamide
PubChem CID154876476
Molecular FormulaC16H23N3O5
Molecular Weight337.38 g/mol
Exact Mass337.16
IUPAC NameN-[[(3R)-1-(2-oxo-3H-1,3-oxazole-4-carbonyl)piperidin-3-yl]methyl]oxane-2-carboxamide
SMILESO=C(NC[C@H]1CCCN(C(=O)c2coc(=O)[nH]2)C1)C1CCCCO1
InChIInChI=1S/C16H23N3O5/c20-14(13-5-1-2-7-23-13)17-8-11-4-3-6-19(9-11)15(21)12-10-24-16(22)18-12/h10-11,13H,1-9H2,(H,17,20)(H,18,22)/t11-,13?/m1/s1
InChIKeyVTGAAOKUGAOKMC-JTDNENJMSA-N
XLogP0.51
TPSA104.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[(3R)-1-(2-oxo-3H-1,3-oxazole-4-carbonyl)piperidin-3-yl]methyl]oxane-2-carboxamide with MolForge

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Related Compounds

(2R)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]oxane-2-carboxamide
CID 125158287
(2S)-N-[[1-(3-oxo-2-phenyl-1H-pyrazole-5-carbonyl)piperidin-4-yl]methyl]oxolane-2-carboxamide
CID 164642882
N-[(4-bromocyclohexyl)methyl]oxane-2-carboxamide
CID 106134208
1-(oxane-2-carbonyl)-3-[(sulfamoylamino)methyl]piperidine
CID 62213043
N-[(3-aminocyclopentyl)methyl]oxane-2-carboxamide
CID 106121843
N-[[3-[(oxane-2-carbonylamino)methyl]phenyl]methyl]oxane-2-carboxamide
CID 127697163
(2S)-N-[[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 100649814
N-(cyclopropylmethyl)-1-(4,5-dichloro-1H-pyrrole-2-carbonyl)piperidine-3-carboxamide
CID 78882073
(2S)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)oxolane-2-carboxamide
CID 128972669
[3-(2-chloroethyl)piperidin-1-yl]-(oxan-2-yl)methanone
CID 63395711
(2-chlorofuran-3-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 106688448
N-[[(3R)-1-[(2S)-oxolane-2-carbonyl]piperidin-3-yl]methyl]methanesulfonamide
CID 94029567

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-(2-oxo-3H-1,3-oxazole-4-carbonyl)piperidin-3-yl]methyl]oxane-2-carboxamide?
The IUPAC name of N-[[(3R)-1-(2-oxo-3H-1,3-oxazole-4-carbonyl)piperidin-3-yl]methyl]oxane-2-carboxamide (CID 154876476) is N-[[(3R)-1-(2-oxo-3H-1,3-oxazole-4-carbonyl)piperidin-3-yl]methyl]oxane-2-carboxamide.
What is the SMILES notation for N-[[(3R)-1-(2-oxo-3H-1,3-oxazole-4-carbonyl)piperidin-3-yl]methyl]oxane-2-carboxamide?
The canonical SMILES for N-[[(3R)-1-(2-oxo-3H-1,3-oxazole-4-carbonyl)piperidin-3-yl]methyl]oxane-2-carboxamide is O=C(NC[C@H]1CCCN(C(=O)c2coc(=O)[nH]2)C1)C1CCCCO1.
What is the InChIKey of N-[[(3R)-1-(2-oxo-3H-1,3-oxazole-4-carbonyl)piperidin-3-yl]methyl]oxane-2-carboxamide?
The InChIKey is VTGAAOKUGAOKMC-JTDNENJMSA-N. The full InChI is InChI=1S/C16H23N3O5/c20-14(13-5-1-2-7-23-13)17-8-11-4-3-6-19(9-11)15(21)12-10-24-16(22)18-12/h10-11,13H,1-9H2,(H,17,20)(H,18,22)/t11-,13?/m1/s1.
What are the key properties of N-[[(3R)-1-(2-oxo-3H-1,3-oxazole-4-carbonyl)piperidin-3-yl]methyl]oxane-2-carboxamide?
N-[[(3R)-1-(2-oxo-3H-1,3-oxazole-4-carbonyl)piperidin-3-yl]methyl]oxane-2-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-(2-oxo-3H-1,3-oxazole-4-carbonyl)piperidin-3-yl]methyl]oxane-2-carboxamide is sourced from PubChem (CID 154876476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).