methyl 2-[1-carbamoyl-5-(ethoxycarbonylamino)piperidin-3-yl]acetate

C12H21N3O5 — CID 112543814

IUPACmethyl 2-[1-carbamoyl-5-(ethoxycarbonylamino)piperidin-3-yl]acetate
SMILESCCOC(=O)NC1CC(CC(=O)OC)CN(C(N)=O)C1
InChIInChI=1S/C12H21N3O5/c1-3-20-12(18)14-9-4-8(5-10(16)19-2)6-15(7-9)11(13)17/h8-9H,3-7H2,1-2H3,(H2,13,17)(H,14,18)
InChIKeyOGPYTMUZPNQSRD-UHFFFAOYSA-N
MW287.32 g/mol
LogP0.06
Rot. Bonds4

About methyl 2-[1-carbamoyl-5-(ethoxycarbonylamino)piperidin-3-yl]acetate

methyl 2-[1-carbamoyl-5-(ethoxycarbonylamino)piperidin-3-yl]acetate (PubChem CID 112543814) has the molecular formula C12H21N3O5 and a molecular weight of 287.32 g/mol. Its IUPAC name is methyl 2-[1-carbamoyl-5-(ethoxycarbonylamino)piperidin-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-carbamoyl-5-(ethoxycarbonylamino)piperidin-3-yl]acetate
PubChem CID112543814
Molecular FormulaC12H21N3O5
Molecular Weight287.32 g/mol
Exact Mass287.15
IUPAC Namemethyl 2-[1-carbamoyl-5-(ethoxycarbonylamino)piperidin-3-yl]acetate
SMILESCCOC(=O)NC1CC(CC(=O)OC)CN(C(N)=O)C1
InChIInChI=1S/C12H21N3O5/c1-3-20-12(18)14-9-4-8(5-10(16)19-2)6-15(7-9)11(13)17/h8-9H,3-7H2,1-2H3,(H2,13,17)(H,14,18)
InChIKeyOGPYTMUZPNQSRD-UHFFFAOYSA-N
XLogP0.06
TPSA110.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[1-carbamoyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]acetate
CID 112544454
methyl 1-carbamoyl-5-(ethoxycarbonylamino)piperidine-3-carboxylate
CID 112543811
methyl 2-[1-(cyanomethyl)-5-(ethoxycarbonylamino)piperidin-3-yl]acetate
CID 112544170
methyl 3-(ethoxycarbonylamino)-5-(2-hydroxyethyl)piperidine-1-carboxylate
CID 112543786
methyl 3-butyl-5-(ethoxycarbonylamino)piperidine-1-carboxylate
CID 112543780
3-[1-carbamoyl-5-(methoxycarbonylamino)piperidin-3-yl]propanoic acid
CID 112543175
ethyl N-[1-(2-amino-2-oxoethyl)-5-ethylpiperidin-3-yl]carbamate
CID 112544185
ethyl N-[1-acetyl-5-(2,2,2-trifluoroethyl)piperidin-3-yl]carbamate
CID 112543848
ethyl N-[1-acetyl-5-(3-hydroxypropyl)piperidin-3-yl]carbamate
CID 112543842
methyl 2-[1-acetyl-5-(methylamino)piperidin-3-yl]acetate
CID 83989738
ethyl 3-(cyclopropylmethyl)-5-(methoxycarbonylamino)piperidine-1-carboxylate
CID 112543155
methyl 2-[1-(2-aminoethyl)-5-(methoxycarbonylamino)piperidin-3-yl]acetate
CID 112543593

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-carbamoyl-5-(ethoxycarbonylamino)piperidin-3-yl]acetate?
The IUPAC name of methyl 2-[1-carbamoyl-5-(ethoxycarbonylamino)piperidin-3-yl]acetate (CID 112543814) is methyl 2-[1-carbamoyl-5-(ethoxycarbonylamino)piperidin-3-yl]acetate.
What is the SMILES notation for methyl 2-[1-carbamoyl-5-(ethoxycarbonylamino)piperidin-3-yl]acetate?
The canonical SMILES for methyl 2-[1-carbamoyl-5-(ethoxycarbonylamino)piperidin-3-yl]acetate is CCOC(=O)NC1CC(CC(=O)OC)CN(C(N)=O)C1.
What is the InChIKey of methyl 2-[1-carbamoyl-5-(ethoxycarbonylamino)piperidin-3-yl]acetate?
The InChIKey is OGPYTMUZPNQSRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O5/c1-3-20-12(18)14-9-4-8(5-10(16)19-2)6-15(7-9)11(13)17/h8-9H,3-7H2,1-2H3,(H2,13,17)(H,14,18).
What are the key properties of methyl 2-[1-carbamoyl-5-(ethoxycarbonylamino)piperidin-3-yl]acetate?
methyl 2-[1-carbamoyl-5-(ethoxycarbonylamino)piperidin-3-yl]acetate has a molecular weight of 287.32 g/mol, XLogP of 0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-carbamoyl-5-(ethoxycarbonylamino)piperidin-3-yl]acetate is sourced from PubChem (CID 112543814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).