1-[1-[1-[2-(oxan-4-yl)acetyl]piperidin-4-yl]piperidine-4-carbonyl]azetidine-3-carboxamide

C22H36N4O4 — CID 171675830

IUPAC1-[1-[1-[2-(oxan-4-yl)acetyl]piperidin-4-yl]piperidine-4-carbonyl]azetidine-3-carboxamide
SMILESNC(=O)C1CN(C(=O)C2CCN(C3CCN(C(=O)CC4CCOCC4)CC3)CC2)C1
InChIInChI=1S/C22H36N4O4/c23-21(28)18-14-26(15-18)22(29)17-1-7-24(8-2-17)19-3-9-25(10-4-19)20(27)13-16-5-11-30-12-6-16/h16-19H,1-15H2,(H2,23,28)
InChIKeyKQTDOMIRJPCVDV-UHFFFAOYSA-N
MW420.55 g/mol
LogP0.45
Rot. Bonds5

About 1-[1-[1-[2-(oxan-4-yl)acetyl]piperidin-4-yl]piperidine-4-carbonyl]azetidine-3-carboxamide

1-[1-[1-[2-(oxan-4-yl)acetyl]piperidin-4-yl]piperidine-4-carbonyl]azetidine-3-carboxamide (PubChem CID 171675830) has the molecular formula C22H36N4O4 and a molecular weight of 420.55 g/mol. Its IUPAC name is 1-[1-[1-[2-(oxan-4-yl)acetyl]piperidin-4-yl]piperidine-4-carbonyl]azetidine-3-carboxamide.

Molecular Properties

Compound Name1-[1-[1-[2-(oxan-4-yl)acetyl]piperidin-4-yl]piperidine-4-carbonyl]azetidine-3-carboxamide
PubChem CID171675830
Molecular FormulaC22H36N4O4
Molecular Weight420.55 g/mol
Exact Mass420.27
IUPAC Name1-[1-[1-[2-(oxan-4-yl)acetyl]piperidin-4-yl]piperidine-4-carbonyl]azetidine-3-carboxamide
SMILESNC(=O)C1CN(C(=O)C2CCN(C3CCN(C(=O)CC4CCOCC4)CC3)CC2)C1
InChIInChI=1S/C22H36N4O4/c23-21(28)18-14-26(15-18)22(29)17-1-7-24(8-2-17)19-3-9-25(10-4-19)20(27)13-16-5-11-30-12-6-16/h16-19H,1-15H2,(H2,23,28)
InChIKeyKQTDOMIRJPCVDV-UHFFFAOYSA-N
XLogP0.45
TPSA96.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.55
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-[2-(oxan-4-yl)acetyl]piperidin-4-yl]piperidine-4-carbonyl]azetidine-3-carboxamide?
The IUPAC name of 1-[1-[1-[2-(oxan-4-yl)acetyl]piperidin-4-yl]piperidine-4-carbonyl]azetidine-3-carboxamide (CID 171675830) is 1-[1-[1-[2-(oxan-4-yl)acetyl]piperidin-4-yl]piperidine-4-carbonyl]azetidine-3-carboxamide.
What is the SMILES notation for 1-[1-[1-[2-(oxan-4-yl)acetyl]piperidin-4-yl]piperidine-4-carbonyl]azetidine-3-carboxamide?
The canonical SMILES for 1-[1-[1-[2-(oxan-4-yl)acetyl]piperidin-4-yl]piperidine-4-carbonyl]azetidine-3-carboxamide is NC(=O)C1CN(C(=O)C2CCN(C3CCN(C(=O)CC4CCOCC4)CC3)CC2)C1.
What is the InChIKey of 1-[1-[1-[2-(oxan-4-yl)acetyl]piperidin-4-yl]piperidine-4-carbonyl]azetidine-3-carboxamide?
The InChIKey is KQTDOMIRJPCVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N4O4/c23-21(28)18-14-26(15-18)22(29)17-1-7-24(8-2-17)19-3-9-25(10-4-19)20(27)13-16-5-11-30-12-6-16/h16-19H,1-15H2,(H2,23,28).
What are the key properties of 1-[1-[1-[2-(oxan-4-yl)acetyl]piperidin-4-yl]piperidine-4-carbonyl]azetidine-3-carboxamide?
1-[1-[1-[2-(oxan-4-yl)acetyl]piperidin-4-yl]piperidine-4-carbonyl]azetidine-3-carboxamide has a molecular weight of 420.55 g/mol, XLogP of 0.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-[2-(oxan-4-yl)acetyl]piperidin-4-yl]piperidine-4-carbonyl]azetidine-3-carboxamide is sourced from PubChem (CID 171675830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).