2-methylpropyl N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]carbamate

C12H23N3O3 — CID 163549649

IUPAC2-methylpropyl N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]carbamate
SMILESCC(C)COC(=O)NCC(=O)N1CCN(C)CC1
InChIInChI=1S/C12H23N3O3/c1-10(2)9-18-12(17)13-8-11(16)15-6-4-14(3)5-7-15/h10H,4-9H2,1-3H3,(H,13,17)
InChIKeyFHZQRFLVRPYFRG-UHFFFAOYSA-N
MW257.33 g/mol
LogP0.14
Rot. Bonds4

About 2-methylpropyl N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]carbamate

2-methylpropyl N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]carbamate (PubChem CID 163549649) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-methylpropyl N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]carbamate.

Molecular Properties

Compound Name2-methylpropyl N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]carbamate
PubChem CID163549649
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name2-methylpropyl N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]carbamate
SMILESCC(C)COC(=O)NCC(=O)N1CCN(C)CC1
InChIInChI=1S/C12H23N3O3/c1-10(2)9-18-12(17)13-8-11(16)15-6-4-14(3)5-7-15/h10H,4-9H2,1-3H3,(H,13,17)
InChIKeyFHZQRFLVRPYFRG-UHFFFAOYSA-N
XLogP0.14
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methylpropyl N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]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 3-oxopiperazine-1-carboxylate
CID 3157178
tert-Butyl (2-morpholino-2-oxoethyl)carbamate
CID 10538259
tert-butyl N-(2-oxo-2-(piperazin-1-yl)ethyl)carbamate
CID 17750349
Ethyl 4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazine-1-carboxylate
CID 8890899
Tert-butyl 4-(2-(methylamino)acetyl)piperazine-1-carboxylate
CID 45791809
1-Isobutoxycarbonyloxymethyl 2,6-piperazinedione
CID 129721107
ethyl N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]carbamate
CID 47030887
tert-Butyl 2-oxopiperazine-1-carboxylate
CID 21868412
N-Methyl (4-BOC-piperazino)acetamide
CID 46785872
Ethyl 4-[2-(2,2,2-trifluoroethylamino)acetyl]piperazine-1-carboxylate
CID 78914960
2-Fluoroethyl 4-[2-(butylamino)-2-oxoethyl]piperazine-1-carboxylate
CID 132320264
Isobutyl piperazine-1-carboxylate
CID 11788701

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]carbamate?
The IUPAC name of 2-methylpropyl N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]carbamate (CID 163549649) is 2-methylpropyl N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]carbamate.
What is the SMILES notation for 2-methylpropyl N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]carbamate?
The canonical SMILES for 2-methylpropyl N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]carbamate is CC(C)COC(=O)NCC(=O)N1CCN(C)CC1.
What is the InChIKey of 2-methylpropyl N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]carbamate?
The InChIKey is FHZQRFLVRPYFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-10(2)9-18-12(17)13-8-11(16)15-6-4-14(3)5-7-15/h10H,4-9H2,1-3H3,(H,13,17).
What are the key properties of 2-methylpropyl N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]carbamate?
2-methylpropyl N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]carbamate has a molecular weight of 257.33 g/mol, XLogP of 0.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]carbamate is sourced from PubChem (CID 163549649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).