tert-butyl N-[1-(3-methylbutanoyl)-5-propylpiperidin-3-yl]carbamate

C18H34N2O3 — CID 112544520

IUPACtert-butyl N-[1-(3-methylbutanoyl)-5-propylpiperidin-3-yl]carbamate
SMILESCCCC1CC(NC(=O)OC(C)(C)C)CN(C(=O)CC(C)C)C1
InChIInChI=1S/C18H34N2O3/c1-7-8-14-10-15(19-17(22)23-18(4,5)6)12-20(11-14)16(21)9-13(2)3/h13-15H,7-12H2,1-6H3,(H,19,22)
InChIKeyFFOHCJCXDKHMEN-UHFFFAOYSA-N
MW326.48 g/mol
LogP3.57
Rot. Bonds5

About tert-butyl N-[1-(3-methylbutanoyl)-5-propylpiperidin-3-yl]carbamate

tert-butyl N-[1-(3-methylbutanoyl)-5-propylpiperidin-3-yl]carbamate (PubChem CID 112544520) has the molecular formula C18H34N2O3 and a molecular weight of 326.48 g/mol. Its IUPAC name is tert-butyl N-[1-(3-methylbutanoyl)-5-propylpiperidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(3-methylbutanoyl)-5-propylpiperidin-3-yl]carbamate
PubChem CID112544520
Molecular FormulaC18H34N2O3
Molecular Weight326.48 g/mol
Exact Mass326.26
IUPAC Nametert-butyl N-[1-(3-methylbutanoyl)-5-propylpiperidin-3-yl]carbamate
SMILESCCCC1CC(NC(=O)OC(C)(C)C)CN(C(=O)CC(C)C)C1
InChIInChI=1S/C18H34N2O3/c1-7-8-14-10-15(19-17(22)23-18(4,5)6)12-20(11-14)16(21)9-13(2)3/h13-15H,7-12H2,1-6H3,(H,19,22)
InChIKeyFFOHCJCXDKHMEN-UHFFFAOYSA-N
XLogP3.57
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(cyclopropylamino)-5-propylpiperidin-1-yl]-3-methylbutan-1-one
CID 112541315
methyl 3-butyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
CID 112544419
N-[5-(2-hydroxyethyl)-1-(3-methylbutanoyl)piperidin-3-yl]-2,2-dimethylpropanamide
CID 112542286
tert-butyl N-[1-(cyclobutylmethyl)-5-propylpiperidin-3-yl]carbamate
CID 112544734
tert-butyl N-(1-propanoylazetidin-3-yl)carbamate
CID 163264454
methyl 3-[1-acetyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]propanoate
CID 112544479
1-[3-(2,2-dimethylpropylamino)-5-(2-hydroxyethyl)piperidin-1-yl]-3-methylbutan-1-one
CID 83995107
ethyl 2-[1-carbamoyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]acetate
CID 112544454
methyl N-[5-(1-hydroxyethyl)-1-(3-methylbutanoyl)piperidin-3-yl]carbamate
CID 112543245
tert-butyl N-[1-(2-methylpropanoyl)azetidin-3-yl]carbamate
CID 146600918
1-[3-ethyl-5-(propylamino)piperidin-1-yl]-3-methylbutan-1-one
CID 83991039
methyl N-[5-butyl-1-(2-methylpropanoyl)piperidin-3-yl]carbamate
CID 112543268

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(3-methylbutanoyl)-5-propylpiperidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(3-methylbutanoyl)-5-propylpiperidin-3-yl]carbamate (CID 112544520) is tert-butyl N-[1-(3-methylbutanoyl)-5-propylpiperidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(3-methylbutanoyl)-5-propylpiperidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(3-methylbutanoyl)-5-propylpiperidin-3-yl]carbamate is CCCC1CC(NC(=O)OC(C)(C)C)CN(C(=O)CC(C)C)C1.
What is the InChIKey of tert-butyl N-[1-(3-methylbutanoyl)-5-propylpiperidin-3-yl]carbamate?
The InChIKey is FFOHCJCXDKHMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O3/c1-7-8-14-10-15(19-17(22)23-18(4,5)6)12-20(11-14)16(21)9-13(2)3/h13-15H,7-12H2,1-6H3,(H,19,22).
What are the key properties of tert-butyl N-[1-(3-methylbutanoyl)-5-propylpiperidin-3-yl]carbamate?
tert-butyl N-[1-(3-methylbutanoyl)-5-propylpiperidin-3-yl]carbamate has a molecular weight of 326.48 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(3-methylbutanoyl)-5-propylpiperidin-3-yl]carbamate is sourced from PubChem (CID 112544520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).