2-methylpropyl N-(1-propanoylpiperidin-4-yl)carbamate

C13H24N2O3 — CID 108566379

IUPAC2-methylpropyl N-(1-propanoylpiperidin-4-yl)carbamate
SMILESCCC(=O)N1CCC(NC(=O)OCC(C)C)CC1
InChIInChI=1S/C13H24N2O3/c1-4-12(16)15-7-5-11(6-8-15)14-13(17)18-9-10(2)3/h10-11H,4-9H2,1-3H3,(H,14,17)
InChIKeyLFCALADSDXZLQK-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.77
Rot. Bonds4

About 2-methylpropyl N-(1-propanoylpiperidin-4-yl)carbamate

2-methylpropyl N-(1-propanoylpiperidin-4-yl)carbamate (PubChem CID 108566379) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-methylpropyl N-(1-propanoylpiperidin-4-yl)carbamate.

Molecular Properties

Compound Name2-methylpropyl N-(1-propanoylpiperidin-4-yl)carbamate
PubChem CID108566379
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2-methylpropyl N-(1-propanoylpiperidin-4-yl)carbamate
SMILESCCC(=O)N1CCC(NC(=O)OCC(C)C)CC1
InChIInChI=1S/C13H24N2O3/c1-4-12(16)15-7-5-11(6-8-15)14-13(17)18-9-10(2)3/h10-11H,4-9H2,1-3H3,(H,14,17)
InChIKeyLFCALADSDXZLQK-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 N-[1-(2-methylpropanoyl)piperidin-4-yl]carbamate
CID 108567264
2-methyl-N-(1-propanoylpiperidin-4-yl)propanamide
CID 60769090
2-methylpropyl 4-(propanoylamino)piperidine-1-carboxylate
CID 108562132
2-methylpropyl N-[1-(2-phenoxyacetyl)piperidin-4-yl]carbamate
CID 108566230
2-methylpropyl N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]carbamate
CID 108565236
ethyl N-(1-butanoylpiperidin-4-yl)carbamate
CID 110819279
2-methylpropyl 4-(3-methylbutanoylamino)piperidine-1-carboxylate
CID 108559419
ethyl [4-[4-(2-methylpropoxycarbonylamino)piperidine-1-carbonyl]phenyl] carbonate
CID 108563373
2-methylpropyl 4-(cyclopropylamino)piperidine-1-carboxylate
CID 69398316
2-methylpropyl N-[1-[2-(2-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]carbamate
CID 108565085
2-methylpropyl 4-(propan-2-ylamino)piperidine-1-carboxylate
CID 142781179
1-[4-(ethylamino)piperidin-1-yl]propan-1-one
CID 60818400

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-(1-propanoylpiperidin-4-yl)carbamate?
The IUPAC name of 2-methylpropyl N-(1-propanoylpiperidin-4-yl)carbamate (CID 108566379) is 2-methylpropyl N-(1-propanoylpiperidin-4-yl)carbamate.
What is the SMILES notation for 2-methylpropyl N-(1-propanoylpiperidin-4-yl)carbamate?
The canonical SMILES for 2-methylpropyl N-(1-propanoylpiperidin-4-yl)carbamate is CCC(=O)N1CCC(NC(=O)OCC(C)C)CC1.
What is the InChIKey of 2-methylpropyl N-(1-propanoylpiperidin-4-yl)carbamate?
The InChIKey is LFCALADSDXZLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-4-12(16)15-7-5-11(6-8-15)14-13(17)18-9-10(2)3/h10-11H,4-9H2,1-3H3,(H,14,17).
What are the key properties of 2-methylpropyl N-(1-propanoylpiperidin-4-yl)carbamate?
2-methylpropyl N-(1-propanoylpiperidin-4-yl)carbamate 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 N-(1-propanoylpiperidin-4-yl)carbamate is sourced from PubChem (CID 108566379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).