2-methylpropyl N-[1-(2-methylpropanoyl)piperidin-4-yl]carbamate

C14H26N2O3 — CID 108567264

IUPAC2-methylpropyl N-[1-(2-methylpropanoyl)piperidin-4-yl]carbamate
SMILESCC(C)COC(=O)NC1CCN(C(=O)C(C)C)CC1
InChIInChI=1S/C14H26N2O3/c1-10(2)9-19-14(18)15-12-5-7-16(8-6-12)13(17)11(3)4/h10-12H,5-9H2,1-4H3,(H,15,18)
InChIKeyVVWSBMRJRIMWPS-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.02
Rot. Bonds4

About 2-methylpropyl N-[1-(2-methylpropanoyl)piperidin-4-yl]carbamate

2-methylpropyl N-[1-(2-methylpropanoyl)piperidin-4-yl]carbamate (PubChem CID 108567264) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-methylpropyl N-[1-(2-methylpropanoyl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Name2-methylpropyl N-[1-(2-methylpropanoyl)piperidin-4-yl]carbamate
PubChem CID108567264
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name2-methylpropyl N-[1-(2-methylpropanoyl)piperidin-4-yl]carbamate
SMILESCC(C)COC(=O)NC1CCN(C(=O)C(C)C)CC1
InChIInChI=1S/C14H26N2O3/c1-10(2)9-19-14(18)15-12-5-7-16(8-6-12)13(17)11(3)4/h10-12H,5-9H2,1-4H3,(H,15,18)
InChIKeyVVWSBMRJRIMWPS-UHFFFAOYSA-N
XLogP2.02
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methylpropyl N-(1-propanoylpiperidin-4-yl)carbamate
CID 108566379
2-amino-N-[1-(2-methylpropanoyl)piperidin-4-yl]butanamide
CID 43711887
2-methylpropyl N-[1-[2-(2-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]carbamate
CID 108565085
N-[1-(2-amino-3-methoxypropanoyl)piperidin-4-yl]-2-methylpropanamide
CID 81083203
2-methylpropyl N-[1-(2-phenoxyacetyl)piperidin-4-yl]carbamate
CID 108566230
2-methylpropyl 4-(3-methylbutanoylamino)piperidine-1-carboxylate
CID 108559419
2-methylpropyl 4-(propanoylamino)piperidine-1-carboxylate
CID 108562132
N-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]-2-methylpropanamide
CID 61164143
N-[1-(2-amino-4-methylpentanoyl)piperidin-4-yl]-2-methylpropanamide
CID 60947774
2-methyl-1-[4-(propan-2-ylamino)piperidin-1-yl]propan-1-one
CID 43747822
2-methyl-3-[[1-(2-methylpropanoyl)piperidin-4-yl]amino]-3-oxopropanoic acid
CID 114898097
2-methylpropyl 4-(cyclopropylamino)piperidine-1-carboxylate
CID 69398316

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-[1-(2-methylpropanoyl)piperidin-4-yl]carbamate?
The IUPAC name of 2-methylpropyl N-[1-(2-methylpropanoyl)piperidin-4-yl]carbamate (CID 108567264) is 2-methylpropyl N-[1-(2-methylpropanoyl)piperidin-4-yl]carbamate.
What is the SMILES notation for 2-methylpropyl N-[1-(2-methylpropanoyl)piperidin-4-yl]carbamate?
The canonical SMILES for 2-methylpropyl N-[1-(2-methylpropanoyl)piperidin-4-yl]carbamate is CC(C)COC(=O)NC1CCN(C(=O)C(C)C)CC1.
What is the InChIKey of 2-methylpropyl N-[1-(2-methylpropanoyl)piperidin-4-yl]carbamate?
The InChIKey is VVWSBMRJRIMWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-10(2)9-19-14(18)15-12-5-7-16(8-6-12)13(17)11(3)4/h10-12H,5-9H2,1-4H3,(H,15,18).
What are the key properties of 2-methylpropyl N-[1-(2-methylpropanoyl)piperidin-4-yl]carbamate?
2-methylpropyl N-[1-(2-methylpropanoyl)piperidin-4-yl]carbamate has a molecular weight of 270.37 g/mol, XLogP of 2.02, 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-(2-methylpropanoyl)piperidin-4-yl]carbamate is sourced from PubChem (CID 108567264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).