1-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]pentan-1-one

C20H35N3O3 — CID 42693441

IUPAC1-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]pentan-1-one
SMILESCCCCC(=O)N1CCC(N2CCC(C(=O)N3CCOCC3)CC2)CC1
InChIInChI=1S/C20H35N3O3/c1-2-3-4-19(24)22-11-7-18(8-12-22)21-9-5-17(6-10-21)20(25)23-13-15-26-16-14-23/h17-18H,2-16H2,1H3
InChIKeyAIRCJOVESHAIDY-UHFFFAOYSA-N
MW365.52 g/mol
LogP1.74
Rot. Bonds5

About 1-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]pentan-1-one

1-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]pentan-1-one (PubChem CID 42693441) has the molecular formula C20H35N3O3 and a molecular weight of 365.52 g/mol. Its IUPAC name is 1-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]pentan-1-one.

Molecular Properties

Compound Name1-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]pentan-1-one
PubChem CID42693441
Molecular FormulaC20H35N3O3
Molecular Weight365.52 g/mol
Exact Mass365.27
IUPAC Name1-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]pentan-1-one
SMILESCCCCC(=O)N1CCC(N2CCC(C(=O)N3CCOCC3)CC2)CC1
InChIInChI=1S/C20H35N3O3/c1-2-3-4-19(24)22-11-7-18(8-12-22)21-9-5-17(6-10-21)20(25)23-13-15-26-16-14-23/h17-18H,2-16H2,1H3
InChIKeyAIRCJOVESHAIDY-UHFFFAOYSA-N
XLogP1.74
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]pentan-1-one?
The IUPAC name of 1-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]pentan-1-one (CID 42693441) is 1-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]pentan-1-one.
What is the SMILES notation for 1-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]pentan-1-one?
The canonical SMILES for 1-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]pentan-1-one is CCCCC(=O)N1CCC(N2CCC(C(=O)N3CCOCC3)CC2)CC1.
What is the InChIKey of 1-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]pentan-1-one?
The InChIKey is AIRCJOVESHAIDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N3O3/c1-2-3-4-19(24)22-11-7-18(8-12-22)21-9-5-17(6-10-21)20(25)23-13-15-26-16-14-23/h17-18H,2-16H2,1H3.
What are the key properties of 1-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]pentan-1-one?
1-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]pentan-1-one has a molecular weight of 365.52 g/mol, XLogP of 1.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]pentan-1-one is sourced from PubChem (CID 42693441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).