N-tert-butyl-N,4-dimethyl-1-(6-methylpyrazin-2-yl)piperidine-4-carboxamide

C17H28N4O — CID 174296832

IUPACN-tert-butyl-N,4-dimethyl-1-(6-methylpyrazin-2-yl)piperidine-4-carboxamide
SMILESCc1cncc(N2CCC(C)(C(=O)N(C)C(C)(C)C)CC2)n1
InChIInChI=1S/C17H28N4O/c1-13-11-18-12-14(19-13)21-9-7-17(5,8-10-21)15(22)20(6)16(2,3)4/h11-12H,7-10H2,1-6H3
InChIKeyNSLJUWMIAHKZKR-UHFFFAOYSA-N
MW304.44 g/mol
LogP2.65
Rot. Bonds2

About N-tert-butyl-N,4-dimethyl-1-(6-methylpyrazin-2-yl)piperidine-4-carboxamide

N-tert-butyl-N,4-dimethyl-1-(6-methylpyrazin-2-yl)piperidine-4-carboxamide (PubChem CID 174296832) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is N-tert-butyl-N,4-dimethyl-1-(6-methylpyrazin-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-N,4-dimethyl-1-(6-methylpyrazin-2-yl)piperidine-4-carboxamide
PubChem CID174296832
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC NameN-tert-butyl-N,4-dimethyl-1-(6-methylpyrazin-2-yl)piperidine-4-carboxamide
SMILESCc1cncc(N2CCC(C)(C(=O)N(C)C(C)(C)C)CC2)n1
InChIInChI=1S/C17H28N4O/c1-13-11-18-12-14(19-13)21-9-7-17(5,8-10-21)15(22)20(6)16(2,3)4/h11-12H,7-10H2,1-6H3
InChIKeyNSLJUWMIAHKZKR-UHFFFAOYSA-N
XLogP2.65
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N,4-dimethyl-1-(6-methylpyrazin-2-yl)piperidine-4-carboxamide?
The IUPAC name of N-tert-butyl-N,4-dimethyl-1-(6-methylpyrazin-2-yl)piperidine-4-carboxamide (CID 174296832) is N-tert-butyl-N,4-dimethyl-1-(6-methylpyrazin-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-tert-butyl-N,4-dimethyl-1-(6-methylpyrazin-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N-tert-butyl-N,4-dimethyl-1-(6-methylpyrazin-2-yl)piperidine-4-carboxamide is Cc1cncc(N2CCC(C)(C(=O)N(C)C(C)(C)C)CC2)n1.
What is the InChIKey of N-tert-butyl-N,4-dimethyl-1-(6-methylpyrazin-2-yl)piperidine-4-carboxamide?
The InChIKey is NSLJUWMIAHKZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-13-11-18-12-14(19-13)21-9-7-17(5,8-10-21)15(22)20(6)16(2,3)4/h11-12H,7-10H2,1-6H3.
What are the key properties of N-tert-butyl-N,4-dimethyl-1-(6-methylpyrazin-2-yl)piperidine-4-carboxamide?
N-tert-butyl-N,4-dimethyl-1-(6-methylpyrazin-2-yl)piperidine-4-carboxamide has a molecular weight of 304.44 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N,4-dimethyl-1-(6-methylpyrazin-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 174296832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).