tert-butyl N-[2-cyano-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]carbamate

C18H32N4O2 — CID 59773449

IUPACtert-butyl N-[2-cyano-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(C#N)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C18H32N4O2/c1-18(2,3)24-17(23)20-14-16(13-19)22-11-7-15(8-12-22)21-9-5-4-6-10-21/h15-16H,4-12,14H2,1-3H3,(H,20,23)
InChIKeyXMFZKERZUQKRSW-UHFFFAOYSA-N
MW336.48 g/mol
LogP2.35
Rot. Bonds4

About tert-butyl N-[2-cyano-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]carbamate

tert-butyl N-[2-cyano-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]carbamate (PubChem CID 59773449) has the molecular formula C18H32N4O2 and a molecular weight of 336.48 g/mol. Its IUPAC name is tert-butyl N-[2-cyano-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-cyano-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]carbamate
PubChem CID59773449
Molecular FormulaC18H32N4O2
Molecular Weight336.48 g/mol
Exact Mass336.25
IUPAC Nametert-butyl N-[2-cyano-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(C#N)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C18H32N4O2/c1-18(2,3)24-17(23)20-14-16(13-19)22-11-7-15(8-12-22)21-9-5-4-6-10-21/h15-16H,4-12,14H2,1-3H3,(H,20,23)
InChIKeyXMFZKERZUQKRSW-UHFFFAOYSA-N
XLogP2.35
TPSA68.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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tert-butyl N-[2,3-dihydroxy-3-(4-pyrrolidin-1-ylphenyl)propyl]carbamate
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tert-butyl N-[4-amino-3-(4-cyclopropylpiperazin-1-yl)butyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-cyano-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-cyano-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]carbamate (CID 59773449) is tert-butyl N-[2-cyano-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-cyano-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-cyano-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]carbamate is CC(C)(C)OC(=O)NCC(C#N)N1CCC(N2CCCCC2)CC1.
What is the InChIKey of tert-butyl N-[2-cyano-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]carbamate?
The InChIKey is XMFZKERZUQKRSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O2/c1-18(2,3)24-17(23)20-14-16(13-19)22-11-7-15(8-12-22)21-9-5-4-6-10-21/h15-16H,4-12,14H2,1-3H3,(H,20,23).
What are the key properties of tert-butyl N-[2-cyano-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]carbamate?
tert-butyl N-[2-cyano-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]carbamate has a molecular weight of 336.48 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-cyano-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]carbamate is sourced from PubChem (CID 59773449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).