N-[1-(tert-butylcarbamoyl)piperidin-4-yl]-5-(dimethylamino)pyrazine-2-carboxamide

C17H28N6O2 — CID 154739087

IUPACN-[1-(tert-butylcarbamoyl)piperidin-4-yl]-5-(dimethylamino)pyrazine-2-carboxamide
SMILESCN(C)c1cnc(C(=O)NC2CCN(C(=O)NC(C)(C)C)CC2)cn1
InChIInChI=1S/C17H28N6O2/c1-17(2,3)21-16(25)23-8-6-12(7-9-23)20-15(24)13-10-19-14(11-18-13)22(4)5/h10-12H,6-9H2,1-5H3,(H,20,24)(H,21,25)
InChIKeyZOMJYDCBPYHHPZ-UHFFFAOYSA-N
MW348.45 g/mol
LogP1.24
Rot. Bonds3

About N-[1-(tert-butylcarbamoyl)piperidin-4-yl]-5-(dimethylamino)pyrazine-2-carboxamide

N-[1-(tert-butylcarbamoyl)piperidin-4-yl]-5-(dimethylamino)pyrazine-2-carboxamide (PubChem CID 154739087) has the molecular formula C17H28N6O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[1-(tert-butylcarbamoyl)piperidin-4-yl]-5-(dimethylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(tert-butylcarbamoyl)piperidin-4-yl]-5-(dimethylamino)pyrazine-2-carboxamide
PubChem CID154739087
Molecular FormulaC17H28N6O2
Molecular Weight348.45 g/mol
Exact Mass348.23
IUPAC NameN-[1-(tert-butylcarbamoyl)piperidin-4-yl]-5-(dimethylamino)pyrazine-2-carboxamide
SMILESCN(C)c1cnc(C(=O)NC2CCN(C(=O)NC(C)(C)C)CC2)cn1
InChIInChI=1S/C17H28N6O2/c1-17(2,3)21-16(25)23-8-6-12(7-9-23)20-15(24)13-10-19-14(11-18-13)22(4)5/h10-12H,6-9H2,1-5H3,(H,20,24)(H,21,25)
InChIKeyZOMJYDCBPYHHPZ-UHFFFAOYSA-N
XLogP1.24
TPSA90.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(tert-butylcarbamoyl)piperidin-4-yl]pyridine-2-carboxamide
CID 110822407
2-N-[1-(cyclopentanecarbonyl)piperidin-4-yl]pyrazine-2,5-dicarboxamide
CID 137336941
4-acetamido-N-tert-butylpiperidine-1-carboxamide
CID 110748466
N-tert-butyl-4-(cyclopropanecarbonylamino)piperidine-1-carboxamide
CID 110822420
5-(cyclooctylcarbamoyl)pyrazine-2-carboxylic acid
CID 120684742
5-chloro-N-(1-propan-2-ylpiperidin-4-yl)pyrazine-2-carboxamide
CID 107240375
(4R)-N-cyclopropyl-4-[[6-(dimethylamino)-3-pyridinyl]amino]azepane-1-carboxamide
CID 129341635
phenyl N-[1-(tert-butylcarbamoyl)piperidin-4-yl]carbamate
CID 110822461
methyl (2R)-2-[2-[[1-(tert-butylcarbamoyl)piperidin-4-yl]carbamoyl]phenyl]sulfanylpropanoate
CID 97254625
N-tert-butyl-4-(3-pyridin-4-ylpropanoylamino)piperidine-1-carboxamide
CID 146086990
N-[(4S)-1-[2-(4-fluorophenyl)-2-methylpropanoyl]azepan-4-yl]-5-methylpyrazine-2-carboxamide
CID 92634952
N-tert-butyl-4-(ethylamino)piperidine-1-carboxamide
CID 60819470

Frequently Asked Questions

What is the IUPAC name of N-[1-(tert-butylcarbamoyl)piperidin-4-yl]-5-(dimethylamino)pyrazine-2-carboxamide?
The IUPAC name of N-[1-(tert-butylcarbamoyl)piperidin-4-yl]-5-(dimethylamino)pyrazine-2-carboxamide (CID 154739087) is N-[1-(tert-butylcarbamoyl)piperidin-4-yl]-5-(dimethylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-[1-(tert-butylcarbamoyl)piperidin-4-yl]-5-(dimethylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-[1-(tert-butylcarbamoyl)piperidin-4-yl]-5-(dimethylamino)pyrazine-2-carboxamide is CN(C)c1cnc(C(=O)NC2CCN(C(=O)NC(C)(C)C)CC2)cn1.
What is the InChIKey of N-[1-(tert-butylcarbamoyl)piperidin-4-yl]-5-(dimethylamino)pyrazine-2-carboxamide?
The InChIKey is ZOMJYDCBPYHHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N6O2/c1-17(2,3)21-16(25)23-8-6-12(7-9-23)20-15(24)13-10-19-14(11-18-13)22(4)5/h10-12H,6-9H2,1-5H3,(H,20,24)(H,21,25).
What are the key properties of N-[1-(tert-butylcarbamoyl)piperidin-4-yl]-5-(dimethylamino)pyrazine-2-carboxamide?
N-[1-(tert-butylcarbamoyl)piperidin-4-yl]-5-(dimethylamino)pyrazine-2-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(tert-butylcarbamoyl)piperidin-4-yl]-5-(dimethylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 154739087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).