[4-[amino(formyl)amino]piperidin-1-yl] 2,2-dimethylpropanoate

C11H21N3O3 — CID 174503474

IUPAC[4-[amino(formyl)amino]piperidin-1-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)ON1CCC(N(N)C=O)CC1
InChIInChI=1S/C11H21N3O3/c1-11(2,3)10(16)17-13-6-4-9(5-7-13)14(12)8-15/h8-9H,4-7,12H2,1-3H3
InChIKeyKKROJWWCKLOQKT-UHFFFAOYSA-N
MW243.31 g/mol
LogP0.29
Rot. Bonds3

About [4-[amino(formyl)amino]piperidin-1-yl] 2,2-dimethylpropanoate

[4-[amino(formyl)amino]piperidin-1-yl] 2,2-dimethylpropanoate (PubChem CID 174503474) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is [4-[amino(formyl)amino]piperidin-1-yl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[4-[amino(formyl)amino]piperidin-1-yl] 2,2-dimethylpropanoate
PubChem CID174503474
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Name[4-[amino(formyl)amino]piperidin-1-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)ON1CCC(N(N)C=O)CC1
InChIInChI=1S/C11H21N3O3/c1-11(2,3)10(16)17-13-6-4-9(5-7-13)14(12)8-15/h8-9H,4-7,12H2,1-3H3
InChIKeyKKROJWWCKLOQKT-UHFFFAOYSA-N
XLogP0.29
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(4-formylpiperidin-1-yl) 2,2-dimethylpropanoate
CID 174553162
(4-carbonochloridoylpiperidin-1-yl) 2,2-dimethylpropanoate
CID 174442879
[4-(iodomethyl)piperidin-1-yl] 2,2-dimethylpropanoate
CID 174751295
methyl 1-(2,2-dimethylpropanoyloxy)piperidine-4-carboxylate
CID 174789699
[4-(2-amino-4,4-dimethyl-3-oxopentyl)piperidin-1-yl] 2,2-dimethylpropanoate
CID 174784804
[(3R)-3-fluoropyrrolidin-1-yl] 2,2-dimethylpropanoate
CID 174512176
[(3S)-3-sulfanylpyrrolidin-1-yl] 2,2-dimethylpropanoate
CID 174754591
[4-(3-bromopropyl)piperidin-1-yl] 2,2-dimethylpropanoate
CID 174448950
(4-azidopiperidin-1-yl) 2,2-dimethylpropanoate
CID 150222079
[(3S)-3-acetylpyrrolidin-1-yl] 2,2-dimethylpropanoate
CID 174712806
[4-(3,3-difluoroazetidin-1-yl)piperidin-1-yl] 2,2-dimethylpropanoate
CID 174732113
[4-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]piperidin-1-yl] 2,2-dimethylpropanoate
CID 174659378

Frequently Asked Questions

What is the IUPAC name of [4-[amino(formyl)amino]piperidin-1-yl] 2,2-dimethylpropanoate?
The IUPAC name of [4-[amino(formyl)amino]piperidin-1-yl] 2,2-dimethylpropanoate (CID 174503474) is [4-[amino(formyl)amino]piperidin-1-yl] 2,2-dimethylpropanoate.
What is the SMILES notation for [4-[amino(formyl)amino]piperidin-1-yl] 2,2-dimethylpropanoate?
The canonical SMILES for [4-[amino(formyl)amino]piperidin-1-yl] 2,2-dimethylpropanoate is CC(C)(C)C(=O)ON1CCC(N(N)C=O)CC1.
What is the InChIKey of [4-[amino(formyl)amino]piperidin-1-yl] 2,2-dimethylpropanoate?
The InChIKey is KKROJWWCKLOQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-11(2,3)10(16)17-13-6-4-9(5-7-13)14(12)8-15/h8-9H,4-7,12H2,1-3H3.
What are the key properties of [4-[amino(formyl)amino]piperidin-1-yl] 2,2-dimethylpropanoate?
[4-[amino(formyl)amino]piperidin-1-yl] 2,2-dimethylpropanoate has a molecular weight of 243.31 g/mol, XLogP of 0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[amino(formyl)amino]piperidin-1-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 174503474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).