ethyl 4-[(1-acetylazetidine-3-carbonyl)amino]piperidine-1-carboxylate

C14H23N3O4 — CID 71785364

IUPACethyl 4-[(1-acetylazetidine-3-carbonyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)C2CN(C(C)=O)C2)CC1
InChIInChI=1S/C14H23N3O4/c1-3-21-14(20)16-6-4-12(5-7-16)15-13(19)11-8-17(9-11)10(2)18/h11-12H,3-9H2,1-2H3,(H,15,19)
InChIKeyBPICJUVQGFQDKH-UHFFFAOYSA-N
MW297.36 g/mol
LogP0.20
Rot. Bonds3

About ethyl 4-[(1-acetylazetidine-3-carbonyl)amino]piperidine-1-carboxylate

ethyl 4-[(1-acetylazetidine-3-carbonyl)amino]piperidine-1-carboxylate (PubChem CID 71785364) has the molecular formula C14H23N3O4 and a molecular weight of 297.36 g/mol. Its IUPAC name is ethyl 4-[(1-acetylazetidine-3-carbonyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(1-acetylazetidine-3-carbonyl)amino]piperidine-1-carboxylate
PubChem CID71785364
Molecular FormulaC14H23N3O4
Molecular Weight297.36 g/mol
Exact Mass297.17
IUPAC Nameethyl 4-[(1-acetylazetidine-3-carbonyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)C2CN(C(C)=O)C2)CC1
InChIInChI=1S/C14H23N3O4/c1-3-21-14(20)16-6-4-12(5-7-16)15-13(19)11-8-17(9-11)10(2)18/h11-12H,3-9H2,1-2H3,(H,15,19)
InChIKeyBPICJUVQGFQDKH-UHFFFAOYSA-N
XLogP0.20
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-methoxypropyl)piperidin-4-yl]-2-methylpropanamide
CID 53510761
Tert-butyl 4-[3-(aminomethyl)-3-methyl-2-oxoazetidin-1-yl]piperidine-1-carboxylate
CID 138039637
tert-butyl N-[1-(azetidine-3-carbonyl)piperidin-4-yl]carbamate hydrochloride
CID 165746323
Tert-butyl 3-(4-aminopiperidine-1-carbonyl)azetidine-1-carboxylate
CID 170916309
Tert-butyl 4-(3-aminopropanamido)piperidine-1-carboxylate
CID 177799544
Ethyl 4-(1-(methylsulfonyl)azetidine-3-carboxamido)piperidine-1-carboxylate
CID 71785519
Ethyl 3-(propan-2-ylcarbamoyl)piperidine-1-carboxylate
CID 47022655
ethyl N-[3-[(3S)-3-methylpiperidin-1-yl]-3-oxopropyl]carbamate
CID 51940896
Methyl 1-(piperidin-4-yl)azetidine-3-carboxylate
CID 156620432
Ethyl 4-acetamidopiperidine-1-carboxylate
CID 18403966
Ethyl 4-(2-methylpropanoylamino)piperidine-1-carboxylate
CID 22954029
Ethyl 4-(2,2-dimethylpropanoylamino)piperidine-1-carboxylate
CID 60717997

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(1-acetylazetidine-3-carbonyl)amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(1-acetylazetidine-3-carbonyl)amino]piperidine-1-carboxylate (CID 71785364) is ethyl 4-[(1-acetylazetidine-3-carbonyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(1-acetylazetidine-3-carbonyl)amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(1-acetylazetidine-3-carbonyl)amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)C2CN(C(C)=O)C2)CC1.
What is the InChIKey of ethyl 4-[(1-acetylazetidine-3-carbonyl)amino]piperidine-1-carboxylate?
The InChIKey is BPICJUVQGFQDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4/c1-3-21-14(20)16-6-4-12(5-7-16)15-13(19)11-8-17(9-11)10(2)18/h11-12H,3-9H2,1-2H3,(H,15,19).
What are the key properties of ethyl 4-[(1-acetylazetidine-3-carbonyl)amino]piperidine-1-carboxylate?
ethyl 4-[(1-acetylazetidine-3-carbonyl)amino]piperidine-1-carboxylate has a molecular weight of 297.36 g/mol, XLogP of 0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(1-acetylazetidine-3-carbonyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 71785364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).