N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-1-(pyridine-4-carbonyl)piperidine-4-carboxamide

C20H27N3O4 — CID 91761677

IUPACN-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-1-(pyridine-4-carbonyl)piperidine-4-carboxamide
SMILESCOC[C@@H]1[C@H](NC(=O)C2CCN(C(=O)c3ccncc3)CC2)[C@@H]2CCO[C@H]12
InChIInChI=1S/C20H27N3O4/c1-26-12-16-17(15-6-11-27-18(15)16)22-19(24)13-4-9-23(10-5-13)20(25)14-2-7-21-8-3-14/h2-3,7-8,13,15-18H,4-6,9-12H2,1H3,(H,22,24)/t15-,16+,17+,18-/m0/s1
InChIKeyWWTCBCFRJPBYTO-MLHJIOFPSA-N
MW373.45 g/mol
LogP1.10
Rot. Bonds5

About N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-1-(pyridine-4-carbonyl)piperidine-4-carboxamide

N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-1-(pyridine-4-carbonyl)piperidine-4-carboxamide (PubChem CID 91761677) has the molecular formula C20H27N3O4 and a molecular weight of 373.45 g/mol. Its IUPAC name is N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-1-(pyridine-4-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-1-(pyridine-4-carbonyl)piperidine-4-carboxamide
PubChem CID91761677
Molecular FormulaC20H27N3O4
Molecular Weight373.45 g/mol
Exact Mass373.20
IUPAC NameN-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-1-(pyridine-4-carbonyl)piperidine-4-carboxamide
SMILESCOC[C@@H]1[C@H](NC(=O)C2CCN(C(=O)c3ccncc3)CC2)[C@@H]2CCO[C@H]12
InChIInChI=1S/C20H27N3O4/c1-26-12-16-17(15-6-11-27-18(15)16)22-19(24)13-4-9-23(10-5-13)20(25)14-2-7-21-8-3-14/h2-3,7-8,13,15-18H,4-6,9-12H2,1H3,(H,22,24)/t15-,16+,17+,18-/m0/s1
InChIKeyWWTCBCFRJPBYTO-MLHJIOFPSA-N
XLogP1.10
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-1-(pyridine-4-carbonyl)piperidine-4-carboxamide with MolForge

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Related Compounds

1-acetyl-N-[(1S,5R,6S,7S)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]piperidine-4-carboxamide
CID 133265633
N-[(1R,5R,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-4-propan-2-ylbenzamide
CID 133267195
3-(benzenesulfonyl)-N-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]propanamide
CID 133265760
N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-1-methyl-4-phenylpiperidine-4-carboxamide
CID 91794587
2-hydroxy-N-[(1S,5S,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-5-methylbenzamide
CID 91765257
N-[(1S,5S,6S,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 91779099
methyl N-[1-(pyridine-4-carbonyl)piperidin-4-yl]carbamate
CID 110821211
2-indol-1-yl-N-[(1R,5R,6R,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
CID 133268436
N-[(3S,7R,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-1-(pyridine-4-carbonyl)piperidine-4-carboxamide
CID 155506930
N-[2-(1-methylimidazol-2-yl)ethyl]-1-(pyridine-4-carbonyl)piperidine-4-carboxamide
CID 91834859
N-[(1R,5R,6R,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-phenoxybenzamide
CID 133265551
2-(difluoromethoxy)-N-[(1S,5S,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]benzamide
CID 91787561

Frequently Asked Questions

What is the IUPAC name of N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-1-(pyridine-4-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-1-(pyridine-4-carbonyl)piperidine-4-carboxamide (CID 91761677) is N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-1-(pyridine-4-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-1-(pyridine-4-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-1-(pyridine-4-carbonyl)piperidine-4-carboxamide is COC[C@@H]1[C@H](NC(=O)C2CCN(C(=O)c3ccncc3)CC2)[C@@H]2CCO[C@H]12.
What is the InChIKey of N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-1-(pyridine-4-carbonyl)piperidine-4-carboxamide?
The InChIKey is WWTCBCFRJPBYTO-MLHJIOFPSA-N. The full InChI is InChI=1S/C20H27N3O4/c1-26-12-16-17(15-6-11-27-18(15)16)22-19(24)13-4-9-23(10-5-13)20(25)14-2-7-21-8-3-14/h2-3,7-8,13,15-18H,4-6,9-12H2,1H3,(H,22,24)/t15-,16+,17+,18-/m0/s1.
What are the key properties of N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-1-(pyridine-4-carbonyl)piperidine-4-carboxamide?
N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-1-(pyridine-4-carbonyl)piperidine-4-carboxamide has a molecular weight of 373.45 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-1-(pyridine-4-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 91761677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).