[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-4-methoxypiperidin-4-yl]-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone

C18H28N4O4 — CID 154565043

IUPAC[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-4-methoxypiperidin-4-yl]-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
SMILESCOC1(C(=O)N2CCC[C@@H]2CO)CCN(Cc2nnc(C3CC3)o2)CC1
InChIInChI=1S/C18H28N4O4/c1-25-18(17(24)22-8-2-3-14(22)12-23)6-9-21(10-7-18)11-15-19-20-16(26-15)13-4-5-13/h13-14,23H,2-12H2,1H3/t14-/m1/s1
InChIKeyUNKFVUIORPSMOO-CQSZACIVSA-N
MW364.45 g/mol
LogP0.91
Rot. Bonds6

About [1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-4-methoxypiperidin-4-yl]-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone

[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-4-methoxypiperidin-4-yl]-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone (PubChem CID 154565043) has the molecular formula C18H28N4O4 and a molecular weight of 364.45 g/mol. Its IUPAC name is [1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-4-methoxypiperidin-4-yl]-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-4-methoxypiperidin-4-yl]-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
PubChem CID154565043
Molecular FormulaC18H28N4O4
Molecular Weight364.45 g/mol
Exact Mass364.21
IUPAC Name[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-4-methoxypiperidin-4-yl]-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
SMILESCOC1(C(=O)N2CCC[C@@H]2CO)CCN(Cc2nnc(C3CC3)o2)CC1
InChIInChI=1S/C18H28N4O4/c1-25-18(17(24)22-8-2-3-14(22)12-23)6-9-21(10-7-18)11-15-19-20-16(26-15)13-4-5-13/h13-14,23H,2-12H2,1H3/t14-/m1/s1
InChIKeyUNKFVUIORPSMOO-CQSZACIVSA-N
XLogP0.91
TPSA91.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-4-methoxypiperidin-4-yl]-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone with MolForge

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Related Compounds

2-cyclopropyl-5-[[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
CID 171994538
1-[4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]ethanone
CID 47520358
cyclopropyl-[(2R)-2-[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]azepan-1-yl]methanone
CID 95327970
N-[[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl]methyl]acetamide
CID 86854604
[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-yl]methanol
CID 62016869
tert-butyl N-[[(2R)-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-2-yl]methyl]carbamate
CID 95296324
1'-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 70719989
2-[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone
CID 75435653
2-cyclobutyl-5-[(4-cyclobutylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
CID 75463945
8-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-propan-2-yl-2,8-diazaspiro[5.5]undecan-3-one
CID 70713952
4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N,N-dimethylmorpholine-2-carboxamide
CID 131902756
[4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 47521649

Frequently Asked Questions

What is the IUPAC name of [1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-4-methoxypiperidin-4-yl]-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-4-methoxypiperidin-4-yl]-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone (CID 154565043) is [1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-4-methoxypiperidin-4-yl]-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-4-methoxypiperidin-4-yl]-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-4-methoxypiperidin-4-yl]-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone is COC1(C(=O)N2CCC[C@@H]2CO)CCN(Cc2nnc(C3CC3)o2)CC1.
What is the InChIKey of [1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-4-methoxypiperidin-4-yl]-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The InChIKey is UNKFVUIORPSMOO-CQSZACIVSA-N. The full InChI is InChI=1S/C18H28N4O4/c1-25-18(17(24)22-8-2-3-14(22)12-23)6-9-21(10-7-18)11-15-19-20-16(26-15)13-4-5-13/h13-14,23H,2-12H2,1H3/t14-/m1/s1.
What are the key properties of [1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-4-methoxypiperidin-4-yl]-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-4-methoxypiperidin-4-yl]-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone has a molecular weight of 364.45 g/mol, XLogP of 0.91, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-4-methoxypiperidin-4-yl]-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 154565043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).