butyl 4-(morpholine-4-carbonyl)piperazine-1-carboxylate

C14H25N3O4 — CID 67764639

IUPACbutyl 4-(morpholine-4-carbonyl)piperazine-1-carboxylate
SMILESCCCCOC(=O)N1CCN(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C14H25N3O4/c1-2-3-10-21-14(19)17-6-4-15(5-7-17)13(18)16-8-11-20-12-9-16/h2-12H2,1H3
InChIKeyDOROKVGPMWTWNO-UHFFFAOYSA-N
MW299.37 g/mol
LogP0.99
Rot. Bonds3

About butyl 4-(morpholine-4-carbonyl)piperazine-1-carboxylate

butyl 4-(morpholine-4-carbonyl)piperazine-1-carboxylate (PubChem CID 67764639) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is butyl 4-(morpholine-4-carbonyl)piperazine-1-carboxylate.

Molecular Properties

Compound Namebutyl 4-(morpholine-4-carbonyl)piperazine-1-carboxylate
PubChem CID67764639
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Namebutyl 4-(morpholine-4-carbonyl)piperazine-1-carboxylate
SMILESCCCCOC(=O)N1CCN(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C14H25N3O4/c1-2-3-10-21-14(19)17-6-4-15(5-7-17)13(18)16-8-11-20-12-9-16/h2-12H2,1H3
InChIKeyDOROKVGPMWTWNO-UHFFFAOYSA-N
XLogP0.99
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

butyl aziridine-1-carboxylate
CID 12641
(3-ethoxy-3-oxopropyl) morpholine-4-carboxylate
CID 118111278
butyl 4-(2-aminopropanoyl)piperazine-1-carboxylate
CID 66713226
butyl 4-(2-methoxyacetyl)piperazine-1-carboxylate
CID 108569961
octyl 2-morpholin-4-yl-2-oxoacetate
CID 6422272
butyl 4-(2-oxoethyl)piperazine-1-carboxylate
CID 142734941
undecyl 2-morpholin-4-yl-2-oxoacetate
CID 6422264
butyl 4-[(2S)-2-aminobutanoyl]piperazine-1-carboxylate
CID 66713008
butyl 4-(2-aminobutanoyl)piperazine-1-carboxylate
CID 66713009
ethyl 1,4-oxazepane-4-carboxylate
CID 62066456
2-hydroxybutyl morpholine-4-carboxylate;methane
CID 158189157
butyl 4-bromopiperidine-1-carboxylate
CID 21219163

Frequently Asked Questions

What is the IUPAC name of butyl 4-(morpholine-4-carbonyl)piperazine-1-carboxylate?
The IUPAC name of butyl 4-(morpholine-4-carbonyl)piperazine-1-carboxylate (CID 67764639) is butyl 4-(morpholine-4-carbonyl)piperazine-1-carboxylate.
What is the SMILES notation for butyl 4-(morpholine-4-carbonyl)piperazine-1-carboxylate?
The canonical SMILES for butyl 4-(morpholine-4-carbonyl)piperazine-1-carboxylate is CCCCOC(=O)N1CCN(C(=O)N2CCOCC2)CC1.
What is the InChIKey of butyl 4-(morpholine-4-carbonyl)piperazine-1-carboxylate?
The InChIKey is DOROKVGPMWTWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4/c1-2-3-10-21-14(19)17-6-4-15(5-7-17)13(18)16-8-11-20-12-9-16/h2-12H2,1H3.
What are the key properties of butyl 4-(morpholine-4-carbonyl)piperazine-1-carboxylate?
butyl 4-(morpholine-4-carbonyl)piperazine-1-carboxylate has a molecular weight of 299.37 g/mol, XLogP of 0.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 4-(morpholine-4-carbonyl)piperazine-1-carboxylate is sourced from PubChem (CID 67764639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).