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

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Related Compounds

2-methylpropyl N-[2-(3,3-dimethylpyrrolidin-1-yl)-2-oxoethyl]carbamate
CID 70320103
[2-(4-methylpiperazin-1-yl)-2-oxoethyl]urea
CID 127518835
2-methylpropyl 2-(2-methylpropoxycarbonylamino)acetate
CID 6420840
propyl 2-(2-methylpropoxycarbonylamino)acetate
CID 6422792
2-methylpropyl 4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]piperazine-1-carboxylate
CID 108567446
benzyl N-[2-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]carbamate
CID 122336449
(2S)-2-amino-3-methyl-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]butanamide
CID 119849548
2-methylpropyl N-(2,2-dimethylpropyl)carbamate
CID 88893905
4-amino-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]pentanamide;dihydrochloride
CID 120564659
2-cyclopentyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]propanamide
CID 110605936
butyl 2-(2-methylpropoxycarbonylamino)acetate
CID 6422793
2-methylpropyl N-(1-propanoylpiperidin-4-yl)carbamate
CID 108566379

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).