methyl 4-[2-(methoxycarbonylamino)ethyl]piperazine-1-carboxylate

C10H19N3O4 — CID 3693552

IUPACmethyl 4-[2-(methoxycarbonylamino)ethyl]piperazine-1-carboxylate
SMILESCOC(=O)NCCN1CCN(C(=O)OC)CC1
InChIInChI=1S/C10H19N3O4/c1-16-9(14)11-3-4-12-5-7-13(8-6-12)10(15)17-2/h3-8H2,1-2H3,(H,11,14)
InChIKeyAPWQAVQPVJXVMB-UHFFFAOYSA-N
MW245.28 g/mol
LogP-0.27
Rot. Bonds3

About methyl 4-[2-(methoxycarbonylamino)ethyl]piperazine-1-carboxylate

methyl 4-[2-(methoxycarbonylamino)ethyl]piperazine-1-carboxylate (PubChem CID 3693552) has the molecular formula C10H19N3O4 and a molecular weight of 245.28 g/mol. Its IUPAC name is methyl 4-[2-(methoxycarbonylamino)ethyl]piperazine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[2-(methoxycarbonylamino)ethyl]piperazine-1-carboxylate
PubChem CID3693552
Molecular FormulaC10H19N3O4
Molecular Weight245.28 g/mol
Exact Mass245.14
IUPAC Namemethyl 4-[2-(methoxycarbonylamino)ethyl]piperazine-1-carboxylate
SMILESCOC(=O)NCCN1CCN(C(=O)OC)CC1
InChIInChI=1S/C10H19N3O4/c1-16-9(14)11-3-4-12-5-7-13(8-6-12)10(15)17-2/h3-8H2,1-2H3,(H,11,14)
InChIKeyAPWQAVQPVJXVMB-UHFFFAOYSA-N
XLogP-0.27
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-(3-methoxypropyl)piperazine-1-carboxylate
CID 113073390
tert-butyl 4-[2-(ethoxycarbonylamino)ethyl]piperazine-1-carboxylate
CID 110397582
methyl 4-(6-aminohexyl)piperazine-1-carboxylate
CID 174315697
methyl N-(4-piperidin-1-ylbutyl)carbamate
CID 97356284
methyl 4-(2-morpholin-4-ylethylcarbamoyl)piperidine-1-carboxylate
CID 110754087
methyl 4-[2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]piperazine-1-carboxylate;hydrochloride
CID 71782884
methyl 4-(2-phenylethyl)piperazine-1-carboxylate
CID 1246166
ethane;ethyl N-[2-(4-methylpiperazin-1-yl)ethyl]carbamate
CID 156869233
ethane;4-methoxy-N-[2-(4-methylpiperazin-1-yl)ethyl]butanamide
CID 170620948
tert-butyl 4-[2-[[N-(2-methoxyethyl)-N'-methylcarbamimidoyl]amino]ethyl]piperazine-1-carboxylate
CID 110942424
ethyl 4-[2-(4-ethoxycarbonylpiperazin-1-yl)ethyl]piperazine-1-carboxylate
CID 23424429
3-(4-acetylpiperazin-1-yl)-N-(2-methoxyethyl)propanamide
CID 109014994

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(methoxycarbonylamino)ethyl]piperazine-1-carboxylate?
The IUPAC name of methyl 4-[2-(methoxycarbonylamino)ethyl]piperazine-1-carboxylate (CID 3693552) is methyl 4-[2-(methoxycarbonylamino)ethyl]piperazine-1-carboxylate.
What is the SMILES notation for methyl 4-[2-(methoxycarbonylamino)ethyl]piperazine-1-carboxylate?
The canonical SMILES for methyl 4-[2-(methoxycarbonylamino)ethyl]piperazine-1-carboxylate is COC(=O)NCCN1CCN(C(=O)OC)CC1.
What is the InChIKey of methyl 4-[2-(methoxycarbonylamino)ethyl]piperazine-1-carboxylate?
The InChIKey is APWQAVQPVJXVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O4/c1-16-9(14)11-3-4-12-5-7-13(8-6-12)10(15)17-2/h3-8H2,1-2H3,(H,11,14).
What are the key properties of methyl 4-[2-(methoxycarbonylamino)ethyl]piperazine-1-carboxylate?
methyl 4-[2-(methoxycarbonylamino)ethyl]piperazine-1-carboxylate has a molecular weight of 245.28 g/mol, XLogP of -0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(methoxycarbonylamino)ethyl]piperazine-1-carboxylate is sourced from PubChem (CID 3693552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).