2-[4-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperazin-1-yl]-1-morpholin-4-ylethanone

C17H30N4O3 — CID 120640263

IUPAC2-[4-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperazin-1-yl]-1-morpholin-4-ylethanone
SMILESC[C@H]1C[C@@H](C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CCN1
InChIInChI=1S/C17H30N4O3/c1-14-12-15(2-3-18-14)17(23)21-6-4-19(5-7-21)13-16(22)20-8-10-24-11-9-20/h14-15,18H,2-13H2,1H3/t14-,15-/m0/s1
InChIKeyCPUKDAHSWLXZAM-GJZGRUSLSA-N
MW338.45 g/mol
LogP-0.62
Rot. Bonds3

About 2-[4-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperazin-1-yl]-1-morpholin-4-ylethanone

2-[4-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperazin-1-yl]-1-morpholin-4-ylethanone (PubChem CID 120640263) has the molecular formula C17H30N4O3 and a molecular weight of 338.45 g/mol. Its IUPAC name is 2-[4-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperazin-1-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[4-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperazin-1-yl]-1-morpholin-4-ylethanone
PubChem CID120640263
Molecular FormulaC17H30N4O3
Molecular Weight338.45 g/mol
Exact Mass338.23
IUPAC Name2-[4-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperazin-1-yl]-1-morpholin-4-ylethanone
SMILESC[C@H]1C[C@@H](C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CCN1
InChIInChI=1S/C17H30N4O3/c1-14-12-15(2-3-18-14)17(23)21-6-4-19(5-7-21)13-16(22)20-8-10-24-11-9-20/h14-15,18H,2-13H2,1H3/t14-,15-/m0/s1
InChIKeyCPUKDAHSWLXZAM-GJZGRUSLSA-N
XLogP-0.62
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 5-0.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperazin-1-yl]-1-morpholin-4-ylethanone 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 2-[4-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperazin-1-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[4-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperazin-1-yl]-1-morpholin-4-ylethanone (CID 120640263) is 2-[4-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperazin-1-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[4-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperazin-1-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[4-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperazin-1-yl]-1-morpholin-4-ylethanone is C[C@H]1C[C@@H](C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CCN1.
What is the InChIKey of 2-[4-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperazin-1-yl]-1-morpholin-4-ylethanone?
The InChIKey is CPUKDAHSWLXZAM-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H30N4O3/c1-14-12-15(2-3-18-14)17(23)21-6-4-19(5-7-21)13-16(22)20-8-10-24-11-9-20/h14-15,18H,2-13H2,1H3/t14-,15-/m0/s1.
What are the key properties of 2-[4-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperazin-1-yl]-1-morpholin-4-ylethanone?
2-[4-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperazin-1-yl]-1-morpholin-4-ylethanone has a molecular weight of 338.45 g/mol, XLogP of -0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperazin-1-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 120640263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).