2-methylpropyl 4-(3-methylbutanoylamino)piperidine-1-carboxylate

C15H28N2O3 — CID 108559419

IUPAC2-methylpropyl 4-(3-methylbutanoylamino)piperidine-1-carboxylate
SMILESCC(C)COC(=O)N1CCC(NC(=O)CC(C)C)CC1
InChIInChI=1S/C15H28N2O3/c1-11(2)9-14(18)16-13-5-7-17(8-6-13)15(19)20-10-12(3)4/h11-13H,5-10H2,1-4H3,(H,16,18)
InChIKeySHUVOBPBYNRGEV-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.41
Rot. Bonds5

About 2-methylpropyl 4-(3-methylbutanoylamino)piperidine-1-carboxylate

2-methylpropyl 4-(3-methylbutanoylamino)piperidine-1-carboxylate (PubChem CID 108559419) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-methylpropyl 4-(3-methylbutanoylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 4-(3-methylbutanoylamino)piperidine-1-carboxylate
PubChem CID108559419
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name2-methylpropyl 4-(3-methylbutanoylamino)piperidine-1-carboxylate
SMILESCC(C)COC(=O)N1CCC(NC(=O)CC(C)C)CC1
InChIInChI=1S/C15H28N2O3/c1-11(2)9-14(18)16-13-5-7-17(8-6-13)15(19)20-10-12(3)4/h11-13H,5-10H2,1-4H3,(H,16,18)
InChIKeySHUVOBPBYNRGEV-UHFFFAOYSA-N
XLogP2.41
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methylpropyl 4-(propanoylamino)piperidine-1-carboxylate
CID 108562132
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
N-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-methylbutanamide
CID 110820033
2-methylpropyl 4-(pyridine-4-carbonylamino)piperidine-1-carboxylate
CID 108562438
N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-3-methylbutanamide
CID 110822230
2-methylpropyl 4-[(2-sulfanylbenzoyl)amino]piperidine-1-carboxylate
CID 108561614
2-methylpropyl 4-[[(1R,2S)-2-hydroxycyclohexyl]amino]piperidine-1-carboxylate
CID 99851619
2-methylpropyl 4-[(4-phenylbenzoyl)amino]piperidine-1-carboxylate
CID 108559390
2-methylpropyl 4-[[4-(dimethylamino)benzoyl]amino]piperidine-1-carboxylate
CID 108562819
2-methylpropyl N-[1-(2-methylpropanoyl)piperidin-4-yl]carbamate
CID 108567264

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 4-(3-methylbutanoylamino)piperidine-1-carboxylate?
The IUPAC name of 2-methylpropyl 4-(3-methylbutanoylamino)piperidine-1-carboxylate (CID 108559419) is 2-methylpropyl 4-(3-methylbutanoylamino)piperidine-1-carboxylate.
What is the SMILES notation for 2-methylpropyl 4-(3-methylbutanoylamino)piperidine-1-carboxylate?
The canonical SMILES for 2-methylpropyl 4-(3-methylbutanoylamino)piperidine-1-carboxylate is CC(C)COC(=O)N1CCC(NC(=O)CC(C)C)CC1.
What is the InChIKey of 2-methylpropyl 4-(3-methylbutanoylamino)piperidine-1-carboxylate?
The InChIKey is SHUVOBPBYNRGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-11(2)9-14(18)16-13-5-7-17(8-6-13)15(19)20-10-12(3)4/h11-13H,5-10H2,1-4H3,(H,16,18).
What are the key properties of 2-methylpropyl 4-(3-methylbutanoylamino)piperidine-1-carboxylate?
2-methylpropyl 4-(3-methylbutanoylamino)piperidine-1-carboxylate has a molecular weight of 284.40 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 4-(3-methylbutanoylamino)piperidine-1-carboxylate is sourced from PubChem (CID 108559419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).