3,3-dimethyl-1-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]butan-1-one

C21H37N3O3 — CID 42693454

IUPAC3,3-dimethyl-1-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]butan-1-one
SMILESCC(C)(C)CC(=O)N1CCC(N2CCC(C(=O)N3CCOCC3)CC2)CC1
InChIInChI=1S/C21H37N3O3/c1-21(2,3)16-19(25)23-10-6-18(7-11-23)22-8-4-17(5-9-22)20(26)24-12-14-27-15-13-24/h17-18H,4-16H2,1-3H3
InChIKeyWXYNJOAJPPCIEH-UHFFFAOYSA-N
MW379.55 g/mol
LogP1.98
Rot. Bonds3

About 3,3-dimethyl-1-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]butan-1-one

3,3-dimethyl-1-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]butan-1-one (PubChem CID 42693454) has the molecular formula C21H37N3O3 and a molecular weight of 379.55 g/mol. Its IUPAC name is 3,3-dimethyl-1-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name3,3-dimethyl-1-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]butan-1-one
PubChem CID42693454
Molecular FormulaC21H37N3O3
Molecular Weight379.55 g/mol
Exact Mass379.28
IUPAC Name3,3-dimethyl-1-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]butan-1-one
SMILESCC(C)(C)CC(=O)N1CCC(N2CCC(C(=O)N3CCOCC3)CC2)CC1
InChIInChI=1S/C21H37N3O3/c1-21(2,3)16-19(25)23-10-6-18(7-11-23)22-8-4-17(5-9-22)20(26)24-12-14-27-15-13-24/h17-18H,4-16H2,1-3H3
InChIKeyWXYNJOAJPPCIEH-UHFFFAOYSA-N
XLogP1.98
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.55
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]butan-1-one?
The IUPAC name of 3,3-dimethyl-1-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]butan-1-one (CID 42693454) is 3,3-dimethyl-1-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]butan-1-one.
What is the SMILES notation for 3,3-dimethyl-1-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]butan-1-one?
The canonical SMILES for 3,3-dimethyl-1-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]butan-1-one is CC(C)(C)CC(=O)N1CCC(N2CCC(C(=O)N3CCOCC3)CC2)CC1.
What is the InChIKey of 3,3-dimethyl-1-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]butan-1-one?
The InChIKey is WXYNJOAJPPCIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37N3O3/c1-21(2,3)16-19(25)23-10-6-18(7-11-23)22-8-4-17(5-9-22)20(26)24-12-14-27-15-13-24/h17-18H,4-16H2,1-3H3.
What are the key properties of 3,3-dimethyl-1-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]butan-1-one?
3,3-dimethyl-1-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]butan-1-one has a molecular weight of 379.55 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]butan-1-one is sourced from PubChem (CID 42693454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).