tert-butyl N-(1-butanoylpiperidin-4-yl)carbamate

C14H26N2O3 — CID 52622771

IUPACtert-butyl N-(1-butanoylpiperidin-4-yl)carbamate
SMILESCCCC(=O)N1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H26N2O3/c1-5-6-12(17)16-9-7-11(8-10-16)15-13(18)19-14(2,3)4/h11H,5-10H2,1-4H3,(H,15,18)
InChIKeyYSQMZTLKDSRNBL-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.30
Rot. Bonds3

About tert-butyl N-(1-butanoylpiperidin-4-yl)carbamate

tert-butyl N-(1-butanoylpiperidin-4-yl)carbamate (PubChem CID 52622771) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is tert-butyl N-(1-butanoylpiperidin-4-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-butanoylpiperidin-4-yl)carbamate
PubChem CID52622771
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Nametert-butyl N-(1-butanoylpiperidin-4-yl)carbamate
SMILESCCCC(=O)N1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H26N2O3/c1-5-6-12(17)16-9-7-11(8-10-16)15-13(18)19-14(2,3)4/h11H,5-10H2,1-4H3,(H,15,18)
InChIKeyYSQMZTLKDSRNBL-UHFFFAOYSA-N
XLogP2.30
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[1-(3-chloropropanoyl)piperidin-4-yl]carbamate
CID 124703982
4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-4-oxobutanoic acid
CID 25250198
ethyl N-(1-butanoylpiperidin-4-yl)carbamate
CID 110819279
tert-butyl N-[2-(1-butanoylpiperidin-4-yl)ethyl]carbamate
CID 177056107
tert-butyl N-[(3R)-1-(3-chloropropanoyl)pyrrolidin-3-yl]carbamate
CID 170409265
4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid
CID 18784768
tert-butyl N-[3-oxo-3-[4-(pentanoylamino)piperidin-1-yl]propyl]carbamate
CID 108555481
tert-butyl N-[2-[[1-(3-chloropropanoyl)piperidin-4-yl]amino]-2-oxoethyl]carbamate
CID 108558894
ethyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-2-oxoacetate
CID 23565296
tert-butyl N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]carbamate
CID 46318296
tert-butyl N-[1-(N-butylidene-N'-methylcarbamimidoyl)piperidin-4-yl]carbamate
CID 174043427
tert-butyl N-[(3S)-1-(4-methoxybutanoyl)pyrrolidin-3-yl]carbamate
CID 171063625

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-butanoylpiperidin-4-yl)carbamate?
The IUPAC name of tert-butyl N-(1-butanoylpiperidin-4-yl)carbamate (CID 52622771) is tert-butyl N-(1-butanoylpiperidin-4-yl)carbamate.
What is the SMILES notation for tert-butyl N-(1-butanoylpiperidin-4-yl)carbamate?
The canonical SMILES for tert-butyl N-(1-butanoylpiperidin-4-yl)carbamate is CCCC(=O)N1CCC(NC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-(1-butanoylpiperidin-4-yl)carbamate?
The InChIKey is YSQMZTLKDSRNBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-5-6-12(17)16-9-7-11(8-10-16)15-13(18)19-14(2,3)4/h11H,5-10H2,1-4H3,(H,15,18).
What are the key properties of tert-butyl N-(1-butanoylpiperidin-4-yl)carbamate?
tert-butyl N-(1-butanoylpiperidin-4-yl)carbamate has a molecular weight of 270.37 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-butanoylpiperidin-4-yl)carbamate is sourced from PubChem (CID 52622771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).