ethyl N-(4-methylpiperazin-1-yl)carbamate

C8H17N3O2 — CID 3266809

IUPACethyl N-(4-methylpiperazin-1-yl)carbamate
SMILESCCOC(=O)NN1CCN(C)CC1
InChIInChI=1S/C8H17N3O2/c1-3-13-8(12)9-11-6-4-10(2)5-7-11/h3-7H2,1-2H3,(H,9,12)
InChIKeyCDOKUPBYFIDTKV-UHFFFAOYSA-N
MW187.24 g/mol
LogP-0.11
Rot. Bonds2

About ethyl N-(4-methylpiperazin-1-yl)carbamate

ethyl N-(4-methylpiperazin-1-yl)carbamate (PubChem CID 3266809) has the molecular formula C8H17N3O2 and a molecular weight of 187.24 g/mol. Its IUPAC name is ethyl N-(4-methylpiperazin-1-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(4-methylpiperazin-1-yl)carbamate
PubChem CID3266809
Molecular FormulaC8H17N3O2
Molecular Weight187.24 g/mol
Exact Mass187.13
IUPAC Nameethyl N-(4-methylpiperazin-1-yl)carbamate
SMILESCCOC(=O)NN1CCN(C)CC1
InChIInChI=1S/C8H17N3O2/c1-3-13-8(12)9-11-6-4-10(2)5-7-11/h3-7H2,1-2H3,(H,9,12)
InChIKeyCDOKUPBYFIDTKV-UHFFFAOYSA-N
XLogP-0.11
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(4-methylpiperazin-1-yl)carbamate?
The IUPAC name of ethyl N-(4-methylpiperazin-1-yl)carbamate (CID 3266809) is ethyl N-(4-methylpiperazin-1-yl)carbamate.
What is the SMILES notation for ethyl N-(4-methylpiperazin-1-yl)carbamate?
The canonical SMILES for ethyl N-(4-methylpiperazin-1-yl)carbamate is CCOC(=O)NN1CCN(C)CC1.
What is the InChIKey of ethyl N-(4-methylpiperazin-1-yl)carbamate?
The InChIKey is CDOKUPBYFIDTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2/c1-3-13-8(12)9-11-6-4-10(2)5-7-11/h3-7H2,1-2H3,(H,9,12).
What are the key properties of ethyl N-(4-methylpiperazin-1-yl)carbamate?
ethyl N-(4-methylpiperazin-1-yl)carbamate has a molecular weight of 187.24 g/mol, XLogP of -0.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(4-methylpiperazin-1-yl)carbamate is sourced from PubChem (CID 3266809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).