tert-butyl N-(3-cyano-3-piperidin-1-ylpropyl)carbamate

C14H25N3O2 — CID 102730820

IUPACtert-butyl N-(3-cyano-3-piperidin-1-ylpropyl)carbamate
SMILESCC(C)(C)OC(=O)NCCC(C#N)N1CCCCC1
InChIInChI=1S/C14H25N3O2/c1-14(2,3)19-13(18)16-8-7-12(11-15)17-9-5-4-6-10-17/h12H,4-10H2,1-3H3,(H,16,18)
InChIKeyRISVWHWRWFADFH-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.28
Rot. Bonds4

About tert-butyl N-(3-cyano-3-piperidin-1-ylpropyl)carbamate

tert-butyl N-(3-cyano-3-piperidin-1-ylpropyl)carbamate (PubChem CID 102730820) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is tert-butyl N-(3-cyano-3-piperidin-1-ylpropyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-cyano-3-piperidin-1-ylpropyl)carbamate
PubChem CID102730820
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Nametert-butyl N-(3-cyano-3-piperidin-1-ylpropyl)carbamate
SMILESCC(C)(C)OC(=O)NCCC(C#N)N1CCCCC1
InChIInChI=1S/C14H25N3O2/c1-14(2,3)19-13(18)16-8-7-12(11-15)17-9-5-4-6-10-17/h12H,4-10H2,1-3H3,(H,16,18)
InChIKeyRISVWHWRWFADFH-UHFFFAOYSA-N
XLogP2.28
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-cyano-3-piperidin-1-ylpropyl)carbamate?
The IUPAC name of tert-butyl N-(3-cyano-3-piperidin-1-ylpropyl)carbamate (CID 102730820) is tert-butyl N-(3-cyano-3-piperidin-1-ylpropyl)carbamate.
What is the SMILES notation for tert-butyl N-(3-cyano-3-piperidin-1-ylpropyl)carbamate?
The canonical SMILES for tert-butyl N-(3-cyano-3-piperidin-1-ylpropyl)carbamate is CC(C)(C)OC(=O)NCCC(C#N)N1CCCCC1.
What is the InChIKey of tert-butyl N-(3-cyano-3-piperidin-1-ylpropyl)carbamate?
The InChIKey is RISVWHWRWFADFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-14(2,3)19-13(18)16-8-7-12(11-15)17-9-5-4-6-10-17/h12H,4-10H2,1-3H3,(H,16,18).
What are the key properties of tert-butyl N-(3-cyano-3-piperidin-1-ylpropyl)carbamate?
tert-butyl N-(3-cyano-3-piperidin-1-ylpropyl)carbamate has a molecular weight of 267.37 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-cyano-3-piperidin-1-ylpropyl)carbamate is sourced from PubChem (CID 102730820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).