2-methylpropyl 4-(propanoylamino)piperidine-1-carboxylate

C13H24N2O3 — CID 108562132

IUPAC2-methylpropyl 4-(propanoylamino)piperidine-1-carboxylate
SMILESCCC(=O)NC1CCN(C(=O)OCC(C)C)CC1
InChIInChI=1S/C13H24N2O3/c1-4-12(16)14-11-5-7-15(8-6-11)13(17)18-9-10(2)3/h10-11H,4-9H2,1-3H3,(H,14,16)
InChIKeyFNXQSJASMYAXAI-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.77
Rot. Bonds4

About 2-methylpropyl 4-(propanoylamino)piperidine-1-carboxylate

2-methylpropyl 4-(propanoylamino)piperidine-1-carboxylate (PubChem CID 108562132) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-methylpropyl 4-(propanoylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 4-(propanoylamino)piperidine-1-carboxylate
PubChem CID108562132
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2-methylpropyl 4-(propanoylamino)piperidine-1-carboxylate
SMILESCCC(=O)NC1CCN(C(=O)OCC(C)C)CC1
InChIInChI=1S/C13H24N2O3/c1-4-12(16)14-11-5-7-15(8-6-11)13(17)18-9-10(2)3/h10-11H,4-9H2,1-3H3,(H,14,16)
InChIKeyFNXQSJASMYAXAI-UHFFFAOYSA-N
XLogP1.77
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methylpropyl 4-(3-methylbutanoylamino)piperidine-1-carboxylate
CID 108559419
2-methylpropyl 4-(cyclopropylamino)piperidine-1-carboxylate
CID 69398316
2-methylpropyl 4-(propan-2-ylamino)piperidine-1-carboxylate
CID 142781179
2-methylpropyl 4-propan-2-ylpiperidine-1-carboxylate
CID 21025591
2-methylpropyl N-(1-propanoylpiperidin-4-yl)carbamate
CID 108566379
N-[1-(2-amino-4-methylpentanoyl)piperidin-4-yl]propanamide
CID 54872159
N-[1-(2-methylpropyl)piperidin-4-yl]propanamide
CID 71193586
2-methylpropyl 4-(pyridine-4-carbonylamino)piperidine-1-carboxylate
CID 108562438
ethyl 4-[[4-(propan-2-ylcarbamoyl)cyclohexanecarbonyl]amino]piperidine-1-carboxylate
CID 109144510
2-methylpropyl 4-[(2-sulfanylbenzoyl)amino]piperidine-1-carboxylate
CID 108561614
ethyl 4-(2-bromopropanoylamino)piperidine-1-carboxylate
CID 103693309
2-methylpropyl 4-[[(1R,2S)-2-hydroxycyclohexyl]amino]piperidine-1-carboxylate
CID 99851619

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 4-(propanoylamino)piperidine-1-carboxylate?
The IUPAC name of 2-methylpropyl 4-(propanoylamino)piperidine-1-carboxylate (CID 108562132) is 2-methylpropyl 4-(propanoylamino)piperidine-1-carboxylate.
What is the SMILES notation for 2-methylpropyl 4-(propanoylamino)piperidine-1-carboxylate?
The canonical SMILES for 2-methylpropyl 4-(propanoylamino)piperidine-1-carboxylate is CCC(=O)NC1CCN(C(=O)OCC(C)C)CC1.
What is the InChIKey of 2-methylpropyl 4-(propanoylamino)piperidine-1-carboxylate?
The InChIKey is FNXQSJASMYAXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-4-12(16)14-11-5-7-15(8-6-11)13(17)18-9-10(2)3/h10-11H,4-9H2,1-3H3,(H,14,16).
What are the key properties of 2-methylpropyl 4-(propanoylamino)piperidine-1-carboxylate?
2-methylpropyl 4-(propanoylamino)piperidine-1-carboxylate has a molecular weight of 256.35 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 4-(propanoylamino)piperidine-1-carboxylate is sourced from PubChem (CID 108562132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).