ethane;ethyl N-[2-(4-methylpiperazin-1-yl)ethyl]carbamate

C14H33N3O2 — CID 156869233

IUPACethane;ethyl N-[2-(4-methylpiperazin-1-yl)ethyl]carbamate
SMILESCC.CC.CCOC(=O)NCCN1CCN(C)CC1
InChIInChI=1S/C10H21N3O2.2C2H6/c1-3-15-10(14)11-4-5-13-8-6-12(2)7-9-13;2*1-2/h3-9H2,1-2H3,(H,11,14);2*1-2H3
InChIKeyKPAQGUSPIXGADA-UHFFFAOYSA-N
MW275.44 g/mol
LogP2.03
Rot. Bonds4

About ethane;ethyl N-[2-(4-methylpiperazin-1-yl)ethyl]carbamate

ethane;ethyl N-[2-(4-methylpiperazin-1-yl)ethyl]carbamate (PubChem CID 156869233) has the molecular formula C14H33N3O2 and a molecular weight of 275.44 g/mol. Its IUPAC name is ethane;ethyl N-[2-(4-methylpiperazin-1-yl)ethyl]carbamate.

Molecular Properties

Compound Nameethane;ethyl N-[2-(4-methylpiperazin-1-yl)ethyl]carbamate
PubChem CID156869233
Molecular FormulaC14H33N3O2
Molecular Weight275.44 g/mol
Exact Mass275.26
IUPAC Nameethane;ethyl N-[2-(4-methylpiperazin-1-yl)ethyl]carbamate
SMILESCC.CC.CCOC(=O)NCCN1CCN(C)CC1
InChIInChI=1S/C10H21N3O2.2C2H6/c1-3-15-10(14)11-4-5-13-8-6-12(2)7-9-13;2*1-2/h3-9H2,1-2H3,(H,11,14);2*1-2H3
InChIKeyKPAQGUSPIXGADA-UHFFFAOYSA-N
XLogP2.03
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethane;ethyl N-[2-(4-methylpiperazin-1-yl)ethyl]carbamate 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

tert-butyl 4-[2-(ethoxycarbonylamino)ethyl]piperazine-1-carboxylate
CID 110397582
ethane;2-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide
CID 178091821
N-[2-(4-methylpiperazin-1-yl)ethyl]carbamoyl iodide
CID 138462768
(2R)-2-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide
CID 78972093
N-(2-aminoethyl)-N'-[2-(4-methylpiperazin-1-yl)ethyl]oxamide
CID 54861073
1-methyl-3-[2-(4-methylpiperazin-1-yl)ethyl]urea
CID 59006454
3-[2-(4-methylpiperazin-1-yl)ethylamino]-3-oxopropanoic acid
CID 62230217
2-(methylamino)-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide
CID 60925043
1-(3-aminopropyl)-3-[2-(4-methylpiperazin-1-yl)ethyl]urea
CID 117235833
ethyl 2-(2-pyrrolidin-1-ylethylcarbamoylamino)acetate
CID 60656231
ethyl N-propylcarbamate
CID 12199
2-(aziridin-1-yl)ethyl N-ethylcarbamate
CID 20801404

Frequently Asked Questions

What is the IUPAC name of ethane;ethyl N-[2-(4-methylpiperazin-1-yl)ethyl]carbamate?
The IUPAC name of ethane;ethyl N-[2-(4-methylpiperazin-1-yl)ethyl]carbamate (CID 156869233) is ethane;ethyl N-[2-(4-methylpiperazin-1-yl)ethyl]carbamate.
What is the SMILES notation for ethane;ethyl N-[2-(4-methylpiperazin-1-yl)ethyl]carbamate?
The canonical SMILES for ethane;ethyl N-[2-(4-methylpiperazin-1-yl)ethyl]carbamate is CC.CC.CCOC(=O)NCCN1CCN(C)CC1.
What is the InChIKey of ethane;ethyl N-[2-(4-methylpiperazin-1-yl)ethyl]carbamate?
The InChIKey is KPAQGUSPIXGADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2.2C2H6/c1-3-15-10(14)11-4-5-13-8-6-12(2)7-9-13;2*1-2/h3-9H2,1-2H3,(H,11,14);2*1-2H3.
What are the key properties of ethane;ethyl N-[2-(4-methylpiperazin-1-yl)ethyl]carbamate?
ethane;ethyl N-[2-(4-methylpiperazin-1-yl)ethyl]carbamate has a molecular weight of 275.44 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethyl N-[2-(4-methylpiperazin-1-yl)ethyl]carbamate is sourced from PubChem (CID 156869233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).