butyl 4-[3-(morpholine-4-carbonyl)piperidin-1-yl]piperidine-1-carboxylate

C20H35N3O4 — CID 70745982

IUPACbutyl 4-[3-(morpholine-4-carbonyl)piperidin-1-yl]piperidine-1-carboxylate
SMILESCCCCOC(=O)N1CCC(N2CCCC(C(=O)N3CCOCC3)C2)CC1
InChIInChI=1S/C20H35N3O4/c1-2-3-13-27-20(25)22-9-6-18(7-10-22)23-8-4-5-17(16-23)19(24)21-11-14-26-15-12-21/h17-18H,2-16H2,1H3
InChIKeyOTFKNMFPXYEMKG-UHFFFAOYSA-N
MW381.52 g/mol
LogP1.96
Rot. Bonds5

About butyl 4-[3-(morpholine-4-carbonyl)piperidin-1-yl]piperidine-1-carboxylate

butyl 4-[3-(morpholine-4-carbonyl)piperidin-1-yl]piperidine-1-carboxylate (PubChem CID 70745982) has the molecular formula C20H35N3O4 and a molecular weight of 381.52 g/mol. Its IUPAC name is butyl 4-[3-(morpholine-4-carbonyl)piperidin-1-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Namebutyl 4-[3-(morpholine-4-carbonyl)piperidin-1-yl]piperidine-1-carboxylate
PubChem CID70745982
Molecular FormulaC20H35N3O4
Molecular Weight381.52 g/mol
Exact Mass381.26
IUPAC Namebutyl 4-[3-(morpholine-4-carbonyl)piperidin-1-yl]piperidine-1-carboxylate
SMILESCCCCOC(=O)N1CCC(N2CCCC(C(=O)N3CCOCC3)C2)CC1
InChIInChI=1S/C20H35N3O4/c1-2-3-13-27-20(25)22-9-6-18(7-10-22)23-8-4-5-17(16-23)19(24)21-11-14-26-15-12-21/h17-18H,2-16H2,1H3
InChIKeyOTFKNMFPXYEMKG-UHFFFAOYSA-N
XLogP1.96
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butyl 4-[3-(morpholine-4-carbonyl)piperidin-1-yl]piperidine-1-carboxylate?
The IUPAC name of butyl 4-[3-(morpholine-4-carbonyl)piperidin-1-yl]piperidine-1-carboxylate (CID 70745982) is butyl 4-[3-(morpholine-4-carbonyl)piperidin-1-yl]piperidine-1-carboxylate.
What is the SMILES notation for butyl 4-[3-(morpholine-4-carbonyl)piperidin-1-yl]piperidine-1-carboxylate?
The canonical SMILES for butyl 4-[3-(morpholine-4-carbonyl)piperidin-1-yl]piperidine-1-carboxylate is CCCCOC(=O)N1CCC(N2CCCC(C(=O)N3CCOCC3)C2)CC1.
What is the InChIKey of butyl 4-[3-(morpholine-4-carbonyl)piperidin-1-yl]piperidine-1-carboxylate?
The InChIKey is OTFKNMFPXYEMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N3O4/c1-2-3-13-27-20(25)22-9-6-18(7-10-22)23-8-4-5-17(16-23)19(24)21-11-14-26-15-12-21/h17-18H,2-16H2,1H3.
What are the key properties of butyl 4-[3-(morpholine-4-carbonyl)piperidin-1-yl]piperidine-1-carboxylate?
butyl 4-[3-(morpholine-4-carbonyl)piperidin-1-yl]piperidine-1-carboxylate has a molecular weight of 381.52 g/mol, XLogP of 1.96, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 4-[3-(morpholine-4-carbonyl)piperidin-1-yl]piperidine-1-carboxylate is sourced from PubChem (CID 70745982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).