1-[3-(methylamino)piperidin-1-yl]-2-(1-morpholin-4-ylcyclopentyl)ethanone

C17H31N3O2 — CID 119488084

IUPAC1-[3-(methylamino)piperidin-1-yl]-2-(1-morpholin-4-ylcyclopentyl)ethanone
SMILESCNC1CCCN(C(=O)CC2(N3CCOCC3)CCCC2)C1
InChIInChI=1S/C17H31N3O2/c1-18-15-5-4-8-19(14-15)16(21)13-17(6-2-3-7-17)20-9-11-22-12-10-20/h15,18H,2-14H2,1H3
InChIKeyPJKVHUSQKCABEQ-UHFFFAOYSA-N
MW309.45 g/mol
LogP1.23
Rot. Bonds4

About 1-[3-(methylamino)piperidin-1-yl]-2-(1-morpholin-4-ylcyclopentyl)ethanone

1-[3-(methylamino)piperidin-1-yl]-2-(1-morpholin-4-ylcyclopentyl)ethanone (PubChem CID 119488084) has the molecular formula C17H31N3O2 and a molecular weight of 309.45 g/mol. Its IUPAC name is 1-[3-(methylamino)piperidin-1-yl]-2-(1-morpholin-4-ylcyclopentyl)ethanone.

Molecular Properties

Compound Name1-[3-(methylamino)piperidin-1-yl]-2-(1-morpholin-4-ylcyclopentyl)ethanone
PubChem CID119488084
Molecular FormulaC17H31N3O2
Molecular Weight309.45 g/mol
Exact Mass309.24
IUPAC Name1-[3-(methylamino)piperidin-1-yl]-2-(1-morpholin-4-ylcyclopentyl)ethanone
SMILESCNC1CCCN(C(=O)CC2(N3CCOCC3)CCCC2)C1
InChIInChI=1S/C17H31N3O2/c1-18-15-5-4-8-19(14-15)16(21)13-17(6-2-3-7-17)20-9-11-22-12-10-20/h15,18H,2-14H2,1H3
InChIKeyPJKVHUSQKCABEQ-UHFFFAOYSA-N
XLogP1.23
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[3-(methylamino)piperidin-1-yl]-2-(1-morpholin-4-ylcyclopentyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-(methylamino)piperidin-1-yl]-2-(1-morpholin-4-ylcyclopentyl)ethanone?
The IUPAC name of 1-[3-(methylamino)piperidin-1-yl]-2-(1-morpholin-4-ylcyclopentyl)ethanone (CID 119488084) is 1-[3-(methylamino)piperidin-1-yl]-2-(1-morpholin-4-ylcyclopentyl)ethanone.
What is the SMILES notation for 1-[3-(methylamino)piperidin-1-yl]-2-(1-morpholin-4-ylcyclopentyl)ethanone?
The canonical SMILES for 1-[3-(methylamino)piperidin-1-yl]-2-(1-morpholin-4-ylcyclopentyl)ethanone is CNC1CCCN(C(=O)CC2(N3CCOCC3)CCCC2)C1.
What is the InChIKey of 1-[3-(methylamino)piperidin-1-yl]-2-(1-morpholin-4-ylcyclopentyl)ethanone?
The InChIKey is PJKVHUSQKCABEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O2/c1-18-15-5-4-8-19(14-15)16(21)13-17(6-2-3-7-17)20-9-11-22-12-10-20/h15,18H,2-14H2,1H3.
What are the key properties of 1-[3-(methylamino)piperidin-1-yl]-2-(1-morpholin-4-ylcyclopentyl)ethanone?
1-[3-(methylamino)piperidin-1-yl]-2-(1-morpholin-4-ylcyclopentyl)ethanone has a molecular weight of 309.45 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methylamino)piperidin-1-yl]-2-(1-morpholin-4-ylcyclopentyl)ethanone is sourced from PubChem (CID 119488084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).