(4-methoxypiperidin-4-yl)-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)methanone

C16H29N3O3 — CID 119899611

IUPAC(4-methoxypiperidin-4-yl)-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)methanone
SMILESCOC1(C(=O)N2CC(C)C(N3CCOCC3)C2)CCNCC1
InChIInChI=1S/C16H29N3O3/c1-13-11-19(12-14(13)18-7-9-22-10-8-18)15(20)16(21-2)3-5-17-6-4-16/h13-14,17H,3-12H2,1-2H3
InChIKeyCKVVFMKLASWICM-UHFFFAOYSA-N
MW311.43 g/mol
LogP-0.07
Rot. Bonds3

About (4-methoxypiperidin-4-yl)-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)methanone

(4-methoxypiperidin-4-yl)-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)methanone (PubChem CID 119899611) has the molecular formula C16H29N3O3 and a molecular weight of 311.43 g/mol. Its IUPAC name is (4-methoxypiperidin-4-yl)-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(4-methoxypiperidin-4-yl)-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)methanone
PubChem CID119899611
Molecular FormulaC16H29N3O3
Molecular Weight311.43 g/mol
Exact Mass311.22
IUPAC Name(4-methoxypiperidin-4-yl)-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)methanone
SMILESCOC1(C(=O)N2CC(C)C(N3CCOCC3)C2)CCNCC1
InChIInChI=1S/C16H29N3O3/c1-13-11-19(12-14(13)18-7-9-22-10-8-18)15(20)16(21-2)3-5-17-6-4-16/h13-14,17H,3-12H2,1-2H3
InChIKeyCKVVFMKLASWICM-UHFFFAOYSA-N
XLogP-0.07
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-methoxypiperidin-4-yl)-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)methanone?
The IUPAC name of (4-methoxypiperidin-4-yl)-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)methanone (CID 119899611) is (4-methoxypiperidin-4-yl)-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (4-methoxypiperidin-4-yl)-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for (4-methoxypiperidin-4-yl)-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)methanone is COC1(C(=O)N2CC(C)C(N3CCOCC3)C2)CCNCC1.
What is the InChIKey of (4-methoxypiperidin-4-yl)-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)methanone?
The InChIKey is CKVVFMKLASWICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O3/c1-13-11-19(12-14(13)18-7-9-22-10-8-18)15(20)16(21-2)3-5-17-6-4-16/h13-14,17H,3-12H2,1-2H3.
What are the key properties of (4-methoxypiperidin-4-yl)-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)methanone?
(4-methoxypiperidin-4-yl)-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)methanone has a molecular weight of 311.43 g/mol, XLogP of -0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxypiperidin-4-yl)-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 119899611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).