N-tert-butyl-2-[4-[6-(4-methylpiperazine-1-carbonyl)pyrazin-2-yl]piperazin-1-yl]acetamide

C20H33N7O2 — CID 134714431

IUPACN-tert-butyl-2-[4-[6-(4-methylpiperazine-1-carbonyl)pyrazin-2-yl]piperazin-1-yl]acetamide
SMILESCN1CCN(C(=O)c2cncc(N3CCN(CC(=O)NC(C)(C)C)CC3)n2)CC1
InChIInChI=1S/C20H33N7O2/c1-20(2,3)23-18(28)15-25-7-11-26(12-8-25)17-14-21-13-16(22-17)19(29)27-9-5-24(4)6-10-27/h13-14H,5-12,15H2,1-4H3,(H,23,28)
InChIKeyHAZBQQNQYJMMLL-UHFFFAOYSA-N
MW403.53 g/mol
LogP-0.10
Rot. Bonds4

About N-tert-butyl-2-[4-[6-(4-methylpiperazine-1-carbonyl)pyrazin-2-yl]piperazin-1-yl]acetamide

N-tert-butyl-2-[4-[6-(4-methylpiperazine-1-carbonyl)pyrazin-2-yl]piperazin-1-yl]acetamide (PubChem CID 134714431) has the molecular formula C20H33N7O2 and a molecular weight of 403.53 g/mol. Its IUPAC name is N-tert-butyl-2-[4-[6-(4-methylpiperazine-1-carbonyl)pyrazin-2-yl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[4-[6-(4-methylpiperazine-1-carbonyl)pyrazin-2-yl]piperazin-1-yl]acetamide
PubChem CID134714431
Molecular FormulaC20H33N7O2
Molecular Weight403.53 g/mol
Exact Mass403.27
IUPAC NameN-tert-butyl-2-[4-[6-(4-methylpiperazine-1-carbonyl)pyrazin-2-yl]piperazin-1-yl]acetamide
SMILESCN1CCN(C(=O)c2cncc(N3CCN(CC(=O)NC(C)(C)C)CC3)n2)CC1
InChIInChI=1S/C20H33N7O2/c1-20(2,3)23-18(28)15-25-7-11-26(12-8-25)17-14-21-13-16(22-17)19(29)27-9-5-24(4)6-10-27/h13-14H,5-12,15H2,1-4H3,(H,23,28)
InChIKeyHAZBQQNQYJMMLL-UHFFFAOYSA-N
XLogP-0.10
TPSA84.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(4-methylpiperazin-1-yl)-[6-(4-propan-2-yl-1,4-diazepan-1-yl)pyrazin-2-yl]methanone
CID 134709347
N-tert-butyl-2-[4-[6-(trifluoromethyl)pyridine-3-carbonyl]piperazin-1-yl]acetamide
CID 39463575
(1S,5R)-3-[6-(4-methylpiperazine-1-carbonyl)pyrazin-2-yl]-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid
CID 166623222
2-ethyl-8-[6-(4-methylpiperazine-1-carbonyl)pyrazin-2-yl]-2,8-diazaspiro[4.5]decan-3-one
CID 72866242
piperidin-1-yl-(6-piperidin-1-ylpyrazin-2-yl)methanone
CID 165345728
N-tert-butyl-2-[4-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]acetamide
CID 24547489
[6-[(4S,9aR)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 154816938
N-tert-butyl-2-[4-(4,5-dimethylpyridazin-3-yl)piperazin-1-yl]acetamide
CID 146040015
[6-[(9aR)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 124814484
N-tert-butyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide
CID 51194247
[6-[(6S)-4-butyl-6-hydroxy-1,4-diazepan-1-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 99994199
N-tert-butyl-2-[4-(naphthalene-2-carbonyl)-1,4-diazepan-1-yl]acetamide
CID 9078759

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[4-[6-(4-methylpiperazine-1-carbonyl)pyrazin-2-yl]piperazin-1-yl]acetamide?
The IUPAC name of N-tert-butyl-2-[4-[6-(4-methylpiperazine-1-carbonyl)pyrazin-2-yl]piperazin-1-yl]acetamide (CID 134714431) is N-tert-butyl-2-[4-[6-(4-methylpiperazine-1-carbonyl)pyrazin-2-yl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-tert-butyl-2-[4-[6-(4-methylpiperazine-1-carbonyl)pyrazin-2-yl]piperazin-1-yl]acetamide?
The canonical SMILES for N-tert-butyl-2-[4-[6-(4-methylpiperazine-1-carbonyl)pyrazin-2-yl]piperazin-1-yl]acetamide is CN1CCN(C(=O)c2cncc(N3CCN(CC(=O)NC(C)(C)C)CC3)n2)CC1.
What is the InChIKey of N-tert-butyl-2-[4-[6-(4-methylpiperazine-1-carbonyl)pyrazin-2-yl]piperazin-1-yl]acetamide?
The InChIKey is HAZBQQNQYJMMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N7O2/c1-20(2,3)23-18(28)15-25-7-11-26(12-8-25)17-14-21-13-16(22-17)19(29)27-9-5-24(4)6-10-27/h13-14H,5-12,15H2,1-4H3,(H,23,28).
What are the key properties of N-tert-butyl-2-[4-[6-(4-methylpiperazine-1-carbonyl)pyrazin-2-yl]piperazin-1-yl]acetamide?
N-tert-butyl-2-[4-[6-(4-methylpiperazine-1-carbonyl)pyrazin-2-yl]piperazin-1-yl]acetamide has a molecular weight of 403.53 g/mol, XLogP of -0.10, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[4-[6-(4-methylpiperazine-1-carbonyl)pyrazin-2-yl]piperazin-1-yl]acetamide is sourced from PubChem (CID 134714431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).