(3R,5R)-5-(methoxymethyl)-1-[(5-methyl-2-morpholin-4-yl-1,3-oxazol-4-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-3-carboxamide

C22H36N4O5 — CID 53233021

IUPAC(3R,5R)-5-(methoxymethyl)-1-[(5-methyl-2-morpholin-4-yl-1,3-oxazol-4-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-3-carboxamide
SMILESCOC[C@@H]1C[C@@H](C(=O)NC[C@H]2CCCO2)CN(Cc2nc(N3CCOCC3)oc2C)C1
InChIInChI=1S/C22H36N4O5/c1-16-20(24-22(31-16)26-5-8-29-9-6-26)14-25-12-17(15-28-2)10-18(13-25)21(27)23-11-19-4-3-7-30-19/h17-19H,3-15H2,1-2H3,(H,23,27)/t17-,18-,19-/m1/s1
InChIKeyKOTMCBWMCHYLBT-GUDVDZBRSA-N
MW436.55 g/mol
LogP1.20
Rot. Bonds8

About (3R,5R)-5-(methoxymethyl)-1-[(5-methyl-2-morpholin-4-yl-1,3-oxazol-4-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-3-carboxamide

(3R,5R)-5-(methoxymethyl)-1-[(5-methyl-2-morpholin-4-yl-1,3-oxazol-4-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-3-carboxamide (PubChem CID 53233021) has the molecular formula C22H36N4O5 and a molecular weight of 436.55 g/mol. Its IUPAC name is (3R,5R)-5-(methoxymethyl)-1-[(5-methyl-2-morpholin-4-yl-1,3-oxazol-4-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R,5R)-5-(methoxymethyl)-1-[(5-methyl-2-morpholin-4-yl-1,3-oxazol-4-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-3-carboxamide
PubChem CID53233021
Molecular FormulaC22H36N4O5
Molecular Weight436.55 g/mol
Exact Mass436.27
IUPAC Name(3R,5R)-5-(methoxymethyl)-1-[(5-methyl-2-morpholin-4-yl-1,3-oxazol-4-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-3-carboxamide
SMILESCOC[C@@H]1C[C@@H](C(=O)NC[C@H]2CCCO2)CN(Cc2nc(N3CCOCC3)oc2C)C1
InChIInChI=1S/C22H36N4O5/c1-16-20(24-22(31-16)26-5-8-29-9-6-26)14-25-12-17(15-28-2)10-18(13-25)21(27)23-11-19-4-3-7-30-19/h17-19H,3-15H2,1-2H3,(H,23,27)/t17-,18-,19-/m1/s1
InChIKeyKOTMCBWMCHYLBT-GUDVDZBRSA-N
XLogP1.20
TPSA89.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.55
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (3R,5R)-5-(methoxymethyl)-1-[(5-methyl-2-morpholin-4-yl-1,3-oxazol-4-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-3-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

(3R,5R)-N-[(6-amino-2-pyridinyl)methyl]-5-ethyl-1-[(5-methyl-2-morpholin-4-yl-1,3-oxazol-4-yl)methyl]piperidine-3-carboxamide
CID 54583600
(3R,5R)-5-ethyl-1-[(5-methyl-2-pyrimidin-4-yl-1H-imidazol-4-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-3-carboxamide
CID 54586504
1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide
CID 122175271
(3R,5R)-5-ethyl-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-N-(oxan-4-ylmethyl)piperidine-3-carboxamide
CID 54584590
4-(morpholine-4-carbonyl)-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide
CID 109146739
(3R)-1-methyl-N-[[(2R)-oxolan-2-yl]methyl]piperidine-3-carboxamide
CID 124748940
(3S)-1-methyl-N-[[(2R)-oxolan-2-yl]methyl]piperidine-3-carboxamide
CID 124748941
(3R,5S)-5-[(4-methylpiperazin-1-yl)methyl]-N-(oxolan-2-ylmethyl)-1-(2-phenylethyl)piperidine-3-carboxamide
CID 56860695
ethyl 4-[4-(oxolan-2-ylmethylcarbamoyl)cyclohexanecarbonyl]piperazine-1-carboxylate
CID 109146929
1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide
CID 43930797
4-[5-methyl-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazol-2-yl]-N-(oxolan-2-ylmethyl)benzamide
CID 50800086
1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
CID 53166965

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-5-(methoxymethyl)-1-[(5-methyl-2-morpholin-4-yl-1,3-oxazol-4-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-3-carboxamide?
The IUPAC name of (3R,5R)-5-(methoxymethyl)-1-[(5-methyl-2-morpholin-4-yl-1,3-oxazol-4-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-3-carboxamide (CID 53233021) is (3R,5R)-5-(methoxymethyl)-1-[(5-methyl-2-morpholin-4-yl-1,3-oxazol-4-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R,5R)-5-(methoxymethyl)-1-[(5-methyl-2-morpholin-4-yl-1,3-oxazol-4-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-3-carboxamide?
The canonical SMILES for (3R,5R)-5-(methoxymethyl)-1-[(5-methyl-2-morpholin-4-yl-1,3-oxazol-4-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-3-carboxamide is COC[C@@H]1C[C@@H](C(=O)NC[C@H]2CCCO2)CN(Cc2nc(N3CCOCC3)oc2C)C1.
What is the InChIKey of (3R,5R)-5-(methoxymethyl)-1-[(5-methyl-2-morpholin-4-yl-1,3-oxazol-4-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-3-carboxamide?
The InChIKey is KOTMCBWMCHYLBT-GUDVDZBRSA-N. The full InChI is InChI=1S/C22H36N4O5/c1-16-20(24-22(31-16)26-5-8-29-9-6-26)14-25-12-17(15-28-2)10-18(13-25)21(27)23-11-19-4-3-7-30-19/h17-19H,3-15H2,1-2H3,(H,23,27)/t17-,18-,19-/m1/s1.
What are the key properties of (3R,5R)-5-(methoxymethyl)-1-[(5-methyl-2-morpholin-4-yl-1,3-oxazol-4-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-3-carboxamide?
(3R,5R)-5-(methoxymethyl)-1-[(5-methyl-2-morpholin-4-yl-1,3-oxazol-4-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-3-carboxamide has a molecular weight of 436.55 g/mol, XLogP of 1.20, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-5-(methoxymethyl)-1-[(5-methyl-2-morpholin-4-yl-1,3-oxazol-4-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 53233021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).