[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone

C20H30N4O3 — CID 56758492

IUPAC[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
SMILESO=C(c1ccc(N2CCC(O)CC2)nc1)N1CCC(N2CCOCC2)CC1
InChIInChI=1S/C20H30N4O3/c25-18-5-9-23(10-6-18)19-2-1-16(15-21-19)20(26)24-7-3-17(4-8-24)22-11-13-27-14-12-22/h1-2,15,17-18,25H,3-14H2
InChIKeyKQAQNEINCKZWFI-UHFFFAOYSA-N
MW374.49 g/mol
LogP0.98
Rot. Bonds3

About [6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone

[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone (PubChem CID 56758492) has the molecular formula C20H30N4O3 and a molecular weight of 374.49 g/mol. Its IUPAC name is [6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
PubChem CID56758492
Molecular FormulaC20H30N4O3
Molecular Weight374.49 g/mol
Exact Mass374.23
IUPAC Name[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
SMILESO=C(c1ccc(N2CCC(O)CC2)nc1)N1CCC(N2CCOCC2)CC1
InChIInChI=1S/C20H30N4O3/c25-18-5-9-23(10-6-18)19-2-1-16(15-21-19)20(26)24-7-3-17(4-8-24)22-11-13-27-14-12-22/h1-2,15,17-18,25H,3-14H2
InChIKeyKQAQNEINCKZWFI-UHFFFAOYSA-N
XLogP0.98
TPSA69.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone?
The IUPAC name of [6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone (CID 56758492) is [6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone.
What is the SMILES notation for [6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone?
The canonical SMILES for [6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone is O=C(c1ccc(N2CCC(O)CC2)nc1)N1CCC(N2CCOCC2)CC1.
What is the InChIKey of [6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone?
The InChIKey is KQAQNEINCKZWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O3/c25-18-5-9-23(10-6-18)19-2-1-16(15-21-19)20(26)24-7-3-17(4-8-24)22-11-13-27-14-12-22/h1-2,15,17-18,25H,3-14H2.
What are the key properties of [6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone?
[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone has a molecular weight of 374.49 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 56758492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).