N-tert-butyl-4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidine-1-carboxamide

C17H34N4O — CID 71784792

IUPACN-tert-butyl-4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidine-1-carboxamide
SMILESCC1CN(C)CCN1CC1CCN(C(=O)NC(C)(C)C)CC1
InChIInChI=1S/C17H34N4O/c1-14-12-19(5)10-11-21(14)13-15-6-8-20(9-7-15)16(22)18-17(2,3)4/h14-15H,6-13H2,1-5H3,(H,18,22)
InChIKeyXODBOMMXLITBOI-UHFFFAOYSA-N
MW310.49 g/mol
LogP1.84
Rot. Bonds2

About N-tert-butyl-4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidine-1-carboxamide

N-tert-butyl-4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidine-1-carboxamide (PubChem CID 71784792) has the molecular formula C17H34N4O and a molecular weight of 310.49 g/mol. Its IUPAC name is N-tert-butyl-4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidine-1-carboxamide
PubChem CID71784792
Molecular FormulaC17H34N4O
Molecular Weight310.49 g/mol
Exact Mass310.27
IUPAC NameN-tert-butyl-4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidine-1-carboxamide
SMILESCC1CN(C)CCN1CC1CCN(C(=O)NC(C)(C)C)CC1
InChIInChI=1S/C17H34N4O/c1-14-12-19(5)10-11-21(14)13-15-6-8-20(9-7-15)16(22)18-17(2,3)4/h14-15H,6-13H2,1-5H3,(H,18,22)
InChIKeyXODBOMMXLITBOI-UHFFFAOYSA-N
XLogP1.84
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.49
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidine-1-carboxamide?
The IUPAC name of N-tert-butyl-4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidine-1-carboxamide (CID 71784792) is N-tert-butyl-4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-tert-butyl-4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidine-1-carboxamide?
The canonical SMILES for N-tert-butyl-4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidine-1-carboxamide is CC1CN(C)CCN1CC1CCN(C(=O)NC(C)(C)C)CC1.
What is the InChIKey of N-tert-butyl-4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidine-1-carboxamide?
The InChIKey is XODBOMMXLITBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4O/c1-14-12-19(5)10-11-21(14)13-15-6-8-20(9-7-15)16(22)18-17(2,3)4/h14-15H,6-13H2,1-5H3,(H,18,22).
What are the key properties of N-tert-butyl-4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidine-1-carboxamide?
N-tert-butyl-4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidine-1-carboxamide has a molecular weight of 310.49 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 71784792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).