[1-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone

C20H30N4O3 — CID 56870910

IUPAC[1-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
SMILESCc1ncoc1C(=O)N1CCC(N2CCCC(C(=O)N3CCCC3)C2)CC1
InChIInChI=1S/C20H30N4O3/c1-15-18(27-14-21-15)20(26)23-11-6-17(7-12-23)24-10-4-5-16(13-24)19(25)22-8-2-3-9-22/h14,16-17H,2-13H2,1H3
InChIKeyOPJYZHVESWUBMN-UHFFFAOYSA-N
MW374.49 g/mol
LogP1.92
Rot. Bonds3

About [1-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone

[1-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 56870910) has the molecular formula C20H30N4O3 and a molecular weight of 374.49 g/mol. Its IUPAC name is [1-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
PubChem CID56870910
Molecular FormulaC20H30N4O3
Molecular Weight374.49 g/mol
Exact Mass374.23
IUPAC Name[1-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
SMILESCc1ncoc1C(=O)N1CCC(N2CCCC(C(=O)N3CCCC3)C2)CC1
InChIInChI=1S/C20H30N4O3/c1-15-18(27-14-21-15)20(26)23-11-6-17(7-12-23)24-10-4-5-16(13-24)19(25)22-8-2-3-9-22/h14,16-17H,2-13H2,1H3
InChIKeyOPJYZHVESWUBMN-UHFFFAOYSA-N
XLogP1.92
TPSA69.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone (CID 56870910) is [1-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone is Cc1ncoc1C(=O)N1CCC(N2CCCC(C(=O)N3CCCC3)C2)CC1.
What is the InChIKey of [1-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is OPJYZHVESWUBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O3/c1-15-18(27-14-21-15)20(26)23-11-6-17(7-12-23)24-10-4-5-16(13-24)19(25)22-8-2-3-9-22/h14,16-17H,2-13H2,1H3.
What are the key properties of [1-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone?
[1-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 374.49 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 56870910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).