tert-butyl N-[4-(4-methylpiperidin-1-yl)-4-oxobutyl]carbamate

C15H28N2O3 — CID 24689233

IUPACtert-butyl N-[4-(4-methylpiperidin-1-yl)-4-oxobutyl]carbamate
SMILESCC1CCN(C(=O)CCCNC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H28N2O3/c1-12-7-10-17(11-8-12)13(18)6-5-9-16-14(19)20-15(2,3)4/h12H,5-11H2,1-4H3,(H,16,19)
InChIKeySAOBMWKYIIXNPD-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.55
Rot. Bonds4

About tert-butyl N-[4-(4-methylpiperidin-1-yl)-4-oxobutyl]carbamate

tert-butyl N-[4-(4-methylpiperidin-1-yl)-4-oxobutyl]carbamate (PubChem CID 24689233) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is tert-butyl N-[4-(4-methylpiperidin-1-yl)-4-oxobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(4-methylpiperidin-1-yl)-4-oxobutyl]carbamate
PubChem CID24689233
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Nametert-butyl N-[4-(4-methylpiperidin-1-yl)-4-oxobutyl]carbamate
SMILESCC1CCN(C(=O)CCCNC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H28N2O3/c1-12-7-10-17(11-8-12)13(18)6-5-9-16-14(19)20-15(2,3)4/h12H,5-11H2,1-4H3,(H,16,19)
InChIKeySAOBMWKYIIXNPD-UHFFFAOYSA-N
XLogP2.55
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(4-methylpiperidin-1-yl)-4-oxobutyl]carbamate?
The IUPAC name of tert-butyl N-[4-(4-methylpiperidin-1-yl)-4-oxobutyl]carbamate (CID 24689233) is tert-butyl N-[4-(4-methylpiperidin-1-yl)-4-oxobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(4-methylpiperidin-1-yl)-4-oxobutyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(4-methylpiperidin-1-yl)-4-oxobutyl]carbamate is CC1CCN(C(=O)CCCNC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[4-(4-methylpiperidin-1-yl)-4-oxobutyl]carbamate?
The InChIKey is SAOBMWKYIIXNPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-12-7-10-17(11-8-12)13(18)6-5-9-16-14(19)20-15(2,3)4/h12H,5-11H2,1-4H3,(H,16,19).
What are the key properties of tert-butyl N-[4-(4-methylpiperidin-1-yl)-4-oxobutyl]carbamate?
tert-butyl N-[4-(4-methylpiperidin-1-yl)-4-oxobutyl]carbamate has a molecular weight of 284.40 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(4-methylpiperidin-1-yl)-4-oxobutyl]carbamate is sourced from PubChem (CID 24689233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).