(4-methylpiperazin-1-yl)-[6-(4-propan-2-yl-1,4-diazepan-1-yl)pyrazin-2-yl]methanone

C18H30N6O — CID 134709347

IUPAC(4-methylpiperazin-1-yl)-[6-(4-propan-2-yl-1,4-diazepan-1-yl)pyrazin-2-yl]methanone
SMILESCC(C)N1CCCN(c2cncc(C(=O)N3CCN(C)CC3)n2)CC1
InChIInChI=1S/C18H30N6O/c1-15(2)22-5-4-6-23(12-11-22)17-14-19-13-16(20-17)18(25)24-9-7-21(3)8-10-24/h13-15H,4-12H2,1-3H3
InChIKeyVJNVMTDUZKASDU-UHFFFAOYSA-N
MW346.48 g/mol
LogP0.78
Rot. Bonds3

About (4-methylpiperazin-1-yl)-[6-(4-propan-2-yl-1,4-diazepan-1-yl)pyrazin-2-yl]methanone

(4-methylpiperazin-1-yl)-[6-(4-propan-2-yl-1,4-diazepan-1-yl)pyrazin-2-yl]methanone (PubChem CID 134709347) has the molecular formula C18H30N6O and a molecular weight of 346.48 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-[6-(4-propan-2-yl-1,4-diazepan-1-yl)pyrazin-2-yl]methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-[6-(4-propan-2-yl-1,4-diazepan-1-yl)pyrazin-2-yl]methanone
PubChem CID134709347
Molecular FormulaC18H30N6O
Molecular Weight346.48 g/mol
Exact Mass346.25
IUPAC Name(4-methylpiperazin-1-yl)-[6-(4-propan-2-yl-1,4-diazepan-1-yl)pyrazin-2-yl]methanone
SMILESCC(C)N1CCCN(c2cncc(C(=O)N3CCN(C)CC3)n2)CC1
InChIInChI=1S/C18H30N6O/c1-15(2)22-5-4-6-23(12-11-22)17-14-19-13-16(20-17)18(25)24-9-7-21(3)8-10-24/h13-15H,4-12H2,1-3H3
InChIKeyVJNVMTDUZKASDU-UHFFFAOYSA-N
XLogP0.78
TPSA55.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

piperidin-1-yl-(6-piperidin-1-ylpyrazin-2-yl)methanone
CID 165345728
N-tert-butyl-2-[4-[6-(4-methylpiperazine-1-carbonyl)pyrazin-2-yl]piperazin-1-yl]acetamide
CID 134714431
(1S,5R)-3-[6-(4-methylpiperazine-1-carbonyl)pyrazin-2-yl]-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid
CID 166623222
[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
2-ethyl-8-[6-(4-methylpiperazine-1-carbonyl)pyrazin-2-yl]-2,8-diazaspiro[4.5]decan-3-one
CID 72866242
2-chloro-6-(4-propan-2-ylpiperazin-1-yl)pyrazine
CID 61362795
[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
[6-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 155919678
[6-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 134697141
6-[4-(2,6-dimethylpyridine-3-carbonyl)-1,4-diazepan-1-yl]pyrazine-2-carboxylic acid
CID 138379304
[6-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 138379040
[6-[3-(3-methylphenoxy)azetidin-1-yl]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 134703286

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-[6-(4-propan-2-yl-1,4-diazepan-1-yl)pyrazin-2-yl]methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-[6-(4-propan-2-yl-1,4-diazepan-1-yl)pyrazin-2-yl]methanone (CID 134709347) is (4-methylpiperazin-1-yl)-[6-(4-propan-2-yl-1,4-diazepan-1-yl)pyrazin-2-yl]methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-[6-(4-propan-2-yl-1,4-diazepan-1-yl)pyrazin-2-yl]methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-[6-(4-propan-2-yl-1,4-diazepan-1-yl)pyrazin-2-yl]methanone is CC(C)N1CCCN(c2cncc(C(=O)N3CCN(C)CC3)n2)CC1.
What is the InChIKey of (4-methylpiperazin-1-yl)-[6-(4-propan-2-yl-1,4-diazepan-1-yl)pyrazin-2-yl]methanone?
The InChIKey is VJNVMTDUZKASDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N6O/c1-15(2)22-5-4-6-23(12-11-22)17-14-19-13-16(20-17)18(25)24-9-7-21(3)8-10-24/h13-15H,4-12H2,1-3H3.
What are the key properties of (4-methylpiperazin-1-yl)-[6-(4-propan-2-yl-1,4-diazepan-1-yl)pyrazin-2-yl]methanone?
(4-methylpiperazin-1-yl)-[6-(4-propan-2-yl-1,4-diazepan-1-yl)pyrazin-2-yl]methanone has a molecular weight of 346.48 g/mol, XLogP of 0.78, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-[6-(4-propan-2-yl-1,4-diazepan-1-yl)pyrazin-2-yl]methanone is sourced from PubChem (CID 134709347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).