2-methylpropyl 4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carboxylate

C14H27N3O3 — CID 78803248

IUPAC2-methylpropyl 4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carboxylate
SMILESCCCNC(=O)CN1CCN(C(=O)OCC(C)C)CC1
InChIInChI=1S/C14H27N3O3/c1-4-5-15-13(18)10-16-6-8-17(9-7-16)14(19)20-11-12(2)3/h12H,4-11H2,1-3H3,(H,15,18)
InChIKeyLMPNBYQABYIKKP-UHFFFAOYSA-N
MW285.39 g/mol
LogP0.92
Rot. Bonds6

About 2-methylpropyl 4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carboxylate

2-methylpropyl 4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carboxylate (PubChem CID 78803248) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-methylpropyl 4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carboxylate
PubChem CID78803248
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Name2-methylpropyl 4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carboxylate
SMILESCCCNC(=O)CN1CCN(C(=O)OCC(C)C)CC1
InChIInChI=1S/C14H27N3O3/c1-4-5-15-13(18)10-16-6-8-17(9-7-16)14(19)20-11-12(2)3/h12H,4-11H2,1-3H3,(H,15,18)
InChIKeyLMPNBYQABYIKKP-UHFFFAOYSA-N
XLogP0.92
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(2S)-2-amino-3,3-dimethylbutanoyl]piperazin-1-yl]-N-propylacetamide
CID 61165020
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CID 60936804
2-[4-(3-amino-2-methylpropyl)piperazin-1-yl]-N-propylacetamide
CID 43252897
2-[4-(2-propan-2-ylsulfonylpropanoyl)piperazin-1-yl]-N-propylacetamide
CID 55966532
N-propyl-2-pyrrolidin-1-ylacetamide
CID 22117904
2-[4-(2-amino-2-sulfanylideneethyl)piperazin-1-yl]-N-propylacetamide
CID 63336689
2-methylpropyl 4-(2-hydroxyethyl)piperazine-1-carboxylate
CID 43393114
2-[4-[2-(cyclopropylmethylamino)acetyl]piperazin-1-yl]-N-propylacetamide
CID 60937146
ethyl 4-(2-hydrazinyl-2-oxoethyl)piperazine-1-carboxylate
CID 107877747
2-[4-[2-(2-methoxyethylamino)acetyl]piperazin-1-yl]-N-propylacetamide
CID 78912437
2-methylpropyl 4-prop-2-ynylpiperazine-1-carboxylate
CID 58860505
2-[4-(3-chloropropanoyl)piperazin-1-yl]-N-propylacetamide
CID 54874647

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carboxylate?
The IUPAC name of 2-methylpropyl 4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carboxylate (CID 78803248) is 2-methylpropyl 4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carboxylate.
What is the SMILES notation for 2-methylpropyl 4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carboxylate?
The canonical SMILES for 2-methylpropyl 4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carboxylate is CCCNC(=O)CN1CCN(C(=O)OCC(C)C)CC1.
What is the InChIKey of 2-methylpropyl 4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carboxylate?
The InChIKey is LMPNBYQABYIKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-4-5-15-13(18)10-16-6-8-17(9-7-16)14(19)20-11-12(2)3/h12H,4-11H2,1-3H3,(H,15,18).
What are the key properties of 2-methylpropyl 4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carboxylate?
2-methylpropyl 4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carboxylate has a molecular weight of 285.39 g/mol, XLogP of 0.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carboxylate is sourced from PubChem (CID 78803248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).