ethyl 2-[1-carbamoyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]acetate

C15H27N3O5 — CID 112544454

IUPACethyl 2-[1-carbamoyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]acetate
SMILESCCOC(=O)CC1CC(NC(=O)OC(C)(C)C)CN(C(N)=O)C1
InChIInChI=1S/C15H27N3O5/c1-5-22-12(19)7-10-6-11(9-18(8-10)13(16)20)17-14(21)23-15(2,3)4/h10-11H,5-9H2,1-4H3,(H2,16,20)(H,17,21)
InChIKeyMDAQZUBIRYBIJO-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.23
Rot. Bonds4

About ethyl 2-[1-carbamoyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]acetate

ethyl 2-[1-carbamoyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]acetate (PubChem CID 112544454) has the molecular formula C15H27N3O5 and a molecular weight of 329.40 g/mol. Its IUPAC name is ethyl 2-[1-carbamoyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[1-carbamoyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]acetate
PubChem CID112544454
Molecular FormulaC15H27N3O5
Molecular Weight329.40 g/mol
Exact Mass329.20
IUPAC Nameethyl 2-[1-carbamoyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]acetate
SMILESCCOC(=O)CC1CC(NC(=O)OC(C)(C)C)CN(C(N)=O)C1
InChIInChI=1S/C15H27N3O5/c1-5-22-12(19)7-10-6-11(9-18(8-10)13(16)20)17-14(21)23-15(2,3)4/h10-11H,5-9H2,1-4H3,(H2,16,20)(H,17,21)
InChIKeyMDAQZUBIRYBIJO-UHFFFAOYSA-N
XLogP1.23
TPSA110.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[1-carbamoyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[1-carbamoyl-5-(ethoxycarbonylamino)piperidin-3-yl]acetate
CID 112543814
ethyl 3-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-3-oxopropanoate
CID 174735969
tert-butyl N-[1-(3-methylbutanoyl)-5-propylpiperidin-3-yl]carbamate
CID 112544520
tert-butyl N-(1-propanoylazetidin-3-yl)carbamate
CID 163264454
methyl 3-[1-acetyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]propanoate
CID 112544479
methyl 3-butyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
CID 112544419
3-[1-carbamoyl-5-(methoxycarbonylamino)piperidin-3-yl]propanoic acid
CID 112543175
2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-1-propylpiperidin-3-yl]acetic acid
CID 112544339
ethyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]oxyacetate
CID 138696066
methyl 1-carbamoyl-5-(ethoxycarbonylamino)piperidine-3-carboxylate
CID 112543811
2-[1-(carboxymethyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]acetic acid
CID 112544777
tert-butyl N-[1-(2-amino-2-oxoethyl)-5-(2,2-dimethylpropyl)piperidin-3-yl]carbamate
CID 112544828

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-carbamoyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]acetate?
The IUPAC name of ethyl 2-[1-carbamoyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]acetate (CID 112544454) is ethyl 2-[1-carbamoyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]acetate.
What is the SMILES notation for ethyl 2-[1-carbamoyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]acetate?
The canonical SMILES for ethyl 2-[1-carbamoyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]acetate is CCOC(=O)CC1CC(NC(=O)OC(C)(C)C)CN(C(N)=O)C1.
What is the InChIKey of ethyl 2-[1-carbamoyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]acetate?
The InChIKey is MDAQZUBIRYBIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O5/c1-5-22-12(19)7-10-6-11(9-18(8-10)13(16)20)17-14(21)23-15(2,3)4/h10-11H,5-9H2,1-4H3,(H2,16,20)(H,17,21).
What are the key properties of ethyl 2-[1-carbamoyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]acetate?
ethyl 2-[1-carbamoyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]acetate has a molecular weight of 329.40 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-carbamoyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]acetate is sourced from PubChem (CID 112544454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).