4-tert-butyl-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carboxamide

C17H34N4O — CID 118688710

IUPAC4-tert-butyl-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carboxamide
SMILESCN1CCN(CCNC(=O)N2CCC(C(C)(C)C)CC2)CC1
InChIInChI=1S/C17H34N4O/c1-17(2,3)15-5-8-21(9-6-15)16(22)18-7-10-20-13-11-19(4)12-14-20/h15H,5-14H2,1-4H3,(H,18,22)
InChIKeyXRNOLDBLXJPEIR-UHFFFAOYSA-N
MW310.49 g/mol
LogP1.70
Rot. Bonds3

About 4-tert-butyl-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carboxamide

4-tert-butyl-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carboxamide (PubChem CID 118688710) has the molecular formula C17H34N4O and a molecular weight of 310.49 g/mol. Its IUPAC name is 4-tert-butyl-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-tert-butyl-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carboxamide
PubChem CID118688710
Molecular FormulaC17H34N4O
Molecular Weight310.49 g/mol
Exact Mass310.27
IUPAC Name4-tert-butyl-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carboxamide
SMILESCN1CCN(CCNC(=O)N2CCC(C(C)(C)C)CC2)CC1
InChIInChI=1S/C17H34N4O/c1-17(2,3)15-5-8-21(9-6-15)16(22)18-7-10-20-13-11-19(4)12-14-20/h15H,5-14H2,1-4H3,(H,18,22)
InChIKeyXRNOLDBLXJPEIR-UHFFFAOYSA-N
XLogP1.70
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.49
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carboxamide?
The IUPAC name of 4-tert-butyl-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carboxamide (CID 118688710) is 4-tert-butyl-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-tert-butyl-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carboxamide?
The canonical SMILES for 4-tert-butyl-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carboxamide is CN1CCN(CCNC(=O)N2CCC(C(C)(C)C)CC2)CC1.
What is the InChIKey of 4-tert-butyl-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carboxamide?
The InChIKey is XRNOLDBLXJPEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4O/c1-17(2,3)15-5-8-21(9-6-15)16(22)18-7-10-20-13-11-19(4)12-14-20/h15H,5-14H2,1-4H3,(H,18,22).
What are the key properties of 4-tert-butyl-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carboxamide?
4-tert-butyl-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carboxamide has a molecular weight of 310.49 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 118688710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).