3-morpholin-4-ylpropyl 2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoacetate

C20H35N3O4 — CID 58135814

IUPAC3-morpholin-4-ylpropyl 2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoacetate
SMILESCN1CCC(C2CCN(C(=O)C(=O)OCCCN3CCOCC3)CC2)CC1
InChIInChI=1S/C20H35N3O4/c1-21-8-3-17(4-9-21)18-5-10-23(11-6-18)19(24)20(25)27-14-2-7-22-12-15-26-16-13-22/h17-18H,2-16H2,1H3
InChIKeyRJTJMVXCTXSTOU-UHFFFAOYSA-N
MW381.52 g/mol
LogP0.83
Rot. Bonds5

About 3-morpholin-4-ylpropyl 2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoacetate

3-morpholin-4-ylpropyl 2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoacetate (PubChem CID 58135814) has the molecular formula C20H35N3O4 and a molecular weight of 381.52 g/mol. Its IUPAC name is 3-morpholin-4-ylpropyl 2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoacetate.

Molecular Properties

Compound Name3-morpholin-4-ylpropyl 2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoacetate
PubChem CID58135814
Molecular FormulaC20H35N3O4
Molecular Weight381.52 g/mol
Exact Mass381.26
IUPAC Name3-morpholin-4-ylpropyl 2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoacetate
SMILESCN1CCC(C2CCN(C(=O)C(=O)OCCCN3CCOCC3)CC2)CC1
InChIInChI=1S/C20H35N3O4/c1-21-8-3-17(4-9-21)18-5-10-23(11-6-18)19(24)20(25)27-14-2-7-22-12-15-26-16-13-22/h17-18H,2-16H2,1H3
InChIKeyRJTJMVXCTXSTOU-UHFFFAOYSA-N
XLogP0.83
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 3-morpholin-4-ylpropyl 2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoacetate with MolForge

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

Launch Full Analysis

Related Compounds

3-morpholin-4-ylpropyl 3-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propanoate
CID 58136159
octyl 2-morpholin-4-yl-2-oxoacetate
CID 6422272
undecyl 2-morpholin-4-yl-2-oxoacetate
CID 6422264
ethane;3-morpholin-4-ylpropyl 2-methylpropanoate
CID 172564142
2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoacetic acid
CID 58136033
1-O-ethyl 4-O-(3-morpholin-4-ylpropyl) but-2-enedioate
CID 78155177
(8-morpholin-4-yl-4-oxooctyl) 2-methylprop-2-enoate
CID 58372176
2-(4-methylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)-2-oxoacetamide
CID 108504537
ethyl 1-[2-(3-morpholin-4-ylpropylamino)-2-oxoacetyl]piperidine-4-carboxylate
CID 108504184
3-pyrrolidin-1-ylpropyl N-(1-morpholin-4-ylpropylidene)carbamate
CID 71154646
2-morpholin-4-ylethyl 2,2-dimethylpropanoate;3-piperidin-1-ylpropyl 2,2-dimethylpropanoate
CID 158258538
4-(4-ethoxybutyl)morpholine
CID 10726253

Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-ylpropyl 2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoacetate?
The IUPAC name of 3-morpholin-4-ylpropyl 2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoacetate (CID 58135814) is 3-morpholin-4-ylpropyl 2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoacetate.
What is the SMILES notation for 3-morpholin-4-ylpropyl 2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoacetate?
The canonical SMILES for 3-morpholin-4-ylpropyl 2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoacetate is CN1CCC(C2CCN(C(=O)C(=O)OCCCN3CCOCC3)CC2)CC1.
What is the InChIKey of 3-morpholin-4-ylpropyl 2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoacetate?
The InChIKey is RJTJMVXCTXSTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N3O4/c1-21-8-3-17(4-9-21)18-5-10-23(11-6-18)19(24)20(25)27-14-2-7-22-12-15-26-16-13-22/h17-18H,2-16H2,1H3.
What are the key properties of 3-morpholin-4-ylpropyl 2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoacetate?
3-morpholin-4-ylpropyl 2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoacetate has a molecular weight of 381.52 g/mol, XLogP of 0.83, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-ylpropyl 2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoacetate is sourced from PubChem (CID 58135814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).