1-[4-[1-[2-(propan-2-ylamino)ethyl]piperidin-4-yl]oxypiperidin-1-yl]butan-2-one

C19H37N3O2 — CID 176582083

IUPAC1-[4-[1-[2-(propan-2-ylamino)ethyl]piperidin-4-yl]oxypiperidin-1-yl]butan-2-one
SMILESCCC(=O)CN1CCC(OC2CCN(CCNC(C)C)CC2)CC1
InChIInChI=1S/C19H37N3O2/c1-4-17(23)15-22-12-7-19(8-13-22)24-18-5-10-21(11-6-18)14-9-20-16(2)3/h16,18-20H,4-15H2,1-3H3
InChIKeyWBJBXMCJKISNKD-UHFFFAOYSA-N
MW339.52 g/mol
LogP1.91
Rot. Bonds9

About 1-[4-[1-[2-(propan-2-ylamino)ethyl]piperidin-4-yl]oxypiperidin-1-yl]butan-2-one

1-[4-[1-[2-(propan-2-ylamino)ethyl]piperidin-4-yl]oxypiperidin-1-yl]butan-2-one (PubChem CID 176582083) has the molecular formula C19H37N3O2 and a molecular weight of 339.52 g/mol. Its IUPAC name is 1-[4-[1-[2-(propan-2-ylamino)ethyl]piperidin-4-yl]oxypiperidin-1-yl]butan-2-one.

Molecular Properties

Compound Name1-[4-[1-[2-(propan-2-ylamino)ethyl]piperidin-4-yl]oxypiperidin-1-yl]butan-2-one
PubChem CID176582083
Molecular FormulaC19H37N3O2
Molecular Weight339.52 g/mol
Exact Mass339.29
IUPAC Name1-[4-[1-[2-(propan-2-ylamino)ethyl]piperidin-4-yl]oxypiperidin-1-yl]butan-2-one
SMILESCCC(=O)CN1CCC(OC2CCN(CCNC(C)C)CC2)CC1
InChIInChI=1S/C19H37N3O2/c1-4-17(23)15-22-12-7-19(8-13-22)24-18-5-10-21(11-6-18)14-9-20-16(2)3/h16,18-20H,4-15H2,1-3H3
InChIKeyWBJBXMCJKISNKD-UHFFFAOYSA-N
XLogP1.91
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.52
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-[2-(propan-2-ylamino)ethyl]piperidin-4-yl]oxypiperidin-1-yl]butan-2-one?
The IUPAC name of 1-[4-[1-[2-(propan-2-ylamino)ethyl]piperidin-4-yl]oxypiperidin-1-yl]butan-2-one (CID 176582083) is 1-[4-[1-[2-(propan-2-ylamino)ethyl]piperidin-4-yl]oxypiperidin-1-yl]butan-2-one.
What is the SMILES notation for 1-[4-[1-[2-(propan-2-ylamino)ethyl]piperidin-4-yl]oxypiperidin-1-yl]butan-2-one?
The canonical SMILES for 1-[4-[1-[2-(propan-2-ylamino)ethyl]piperidin-4-yl]oxypiperidin-1-yl]butan-2-one is CCC(=O)CN1CCC(OC2CCN(CCNC(C)C)CC2)CC1.
What is the InChIKey of 1-[4-[1-[2-(propan-2-ylamino)ethyl]piperidin-4-yl]oxypiperidin-1-yl]butan-2-one?
The InChIKey is WBJBXMCJKISNKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N3O2/c1-4-17(23)15-22-12-7-19(8-13-22)24-18-5-10-21(11-6-18)14-9-20-16(2)3/h16,18-20H,4-15H2,1-3H3.
What are the key properties of 1-[4-[1-[2-(propan-2-ylamino)ethyl]piperidin-4-yl]oxypiperidin-1-yl]butan-2-one?
1-[4-[1-[2-(propan-2-ylamino)ethyl]piperidin-4-yl]oxypiperidin-1-yl]butan-2-one has a molecular weight of 339.52 g/mol, XLogP of 1.91, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-[2-(propan-2-ylamino)ethyl]piperidin-4-yl]oxypiperidin-1-yl]butan-2-one is sourced from PubChem (CID 176582083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).