ethyl 4-(1-acetylpiperidine-4-carbonyl)piperazine-1-carboxylate

C15H25N3O4 — CID 110686039

IUPACethyl 4-(1-acetylpiperidine-4-carbonyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)C2CCN(C(C)=O)CC2)CC1
InChIInChI=1S/C15H25N3O4/c1-3-22-15(21)18-10-8-17(9-11-18)14(20)13-4-6-16(7-5-13)12(2)19/h13H,3-11H2,1-2H3
InChIKeyXQOLLLDWZPESQC-UHFFFAOYSA-N
MW311.38 g/mol
LogP0.55
Rot. Bonds2

About ethyl 4-(1-acetylpiperidine-4-carbonyl)piperazine-1-carboxylate

ethyl 4-(1-acetylpiperidine-4-carbonyl)piperazine-1-carboxylate (PubChem CID 110686039) has the molecular formula C15H25N3O4 and a molecular weight of 311.38 g/mol. Its IUPAC name is ethyl 4-(1-acetylpiperidine-4-carbonyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(1-acetylpiperidine-4-carbonyl)piperazine-1-carboxylate
PubChem CID110686039
Molecular FormulaC15H25N3O4
Molecular Weight311.38 g/mol
Exact Mass311.18
IUPAC Nameethyl 4-(1-acetylpiperidine-4-carbonyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)C2CCN(C(C)=O)CC2)CC1
InChIInChI=1S/C15H25N3O4/c1-3-22-15(21)18-10-8-17(9-11-18)14(20)13-4-6-16(7-5-13)12(2)19/h13H,3-11H2,1-2H3
InChIKeyXQOLLLDWZPESQC-UHFFFAOYSA-N
XLogP0.55
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-(cyclopropanecarbonyl)piperazine-1-carboxylate
CID 30148055
ethyl 4-(4-methylpiperidine-1-carbonyl)piperidine-1-carboxylate
CID 113003136
ethyl 4-(cyclohexanecarbonyl)piperazine-1-carboxylate
CID 750615
ethyl 4-[4-(cyclopropanecarbonyl)piperazin-1-yl]piperidine-1-carboxylate
CID 113074649
ethyl 4-[1-(3-methylbutanoyl)piperidine-4-carbonyl]piperazine-1-carboxylate
CID 113005128
ethyl 4-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]amino]piperidine-1-carboxylate
CID 51165095
methyl 4-(1-acetylpiperidine-4-carbonyl)-1,4-diazepane-1-carboxylate
CID 110808697
ethyl 4-(4-benzylpiperidine-1-carbonyl)piperidine-1-carboxylate
CID 113005741
1-[4-[4-(4-acetylpiperazine-1-carbonyl)cyclohexanecarbonyl]piperazin-1-yl]ethanone
CID 2375184
ethyl 4-[1-(2-methylbenzoyl)piperidine-4-carbonyl]piperazine-1-carboxylate
CID 3152307
ethyl 4-(4-benzhydrylpiperazine-1-carbonyl)piperidine-1-carboxylate
CID 34292601
ethyl 4-[1-(2,6-dimethoxybenzoyl)piperidine-4-carbonyl]piperazine-1-carboxylate
CID 126029620

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(1-acetylpiperidine-4-carbonyl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(1-acetylpiperidine-4-carbonyl)piperazine-1-carboxylate (CID 110686039) is ethyl 4-(1-acetylpiperidine-4-carbonyl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(1-acetylpiperidine-4-carbonyl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(1-acetylpiperidine-4-carbonyl)piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)C2CCN(C(C)=O)CC2)CC1.
What is the InChIKey of ethyl 4-(1-acetylpiperidine-4-carbonyl)piperazine-1-carboxylate?
The InChIKey is XQOLLLDWZPESQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O4/c1-3-22-15(21)18-10-8-17(9-11-18)14(20)13-4-6-16(7-5-13)12(2)19/h13H,3-11H2,1-2H3.
What are the key properties of ethyl 4-(1-acetylpiperidine-4-carbonyl)piperazine-1-carboxylate?
ethyl 4-(1-acetylpiperidine-4-carbonyl)piperazine-1-carboxylate has a molecular weight of 311.38 g/mol, XLogP of 0.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(1-acetylpiperidine-4-carbonyl)piperazine-1-carboxylate is sourced from PubChem (CID 110686039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).