(4-chlorophenyl)-(8-cyclohexyl-4,4-dimethyl-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)methanone

C22H32ClN3O — CID 162980604

IUPAC(4-chlorophenyl)-(8-cyclohexyl-4,4-dimethyl-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)methanone
SMILESCC1(C)CN(C(=O)c2ccc(Cl)cc2)CC2CN(C3CCCCC3)CCN21
InChIInChI=1S/C22H32ClN3O/c1-22(2)16-25(21(27)17-8-10-18(23)11-9-17)15-20-14-24(12-13-26(20)22)19-6-4-3-5-7-19/h8-11,19-20H,3-7,12-16H2,1-2H3
InChIKeyCZUDMPHTFVVCML-UHFFFAOYSA-N
MW389.97 g/mol
LogP3.89
Rot. Bonds2

About (4-chlorophenyl)-(8-cyclohexyl-4,4-dimethyl-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)methanone

(4-chlorophenyl)-(8-cyclohexyl-4,4-dimethyl-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)methanone (PubChem CID 162980604) has the molecular formula C22H32ClN3O and a molecular weight of 389.97 g/mol. Its IUPAC name is (4-chlorophenyl)-(8-cyclohexyl-4,4-dimethyl-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-(8-cyclohexyl-4,4-dimethyl-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)methanone
PubChem CID162980604
Molecular FormulaC22H32ClN3O
Molecular Weight389.97 g/mol
Exact Mass389.22
IUPAC Name(4-chlorophenyl)-(8-cyclohexyl-4,4-dimethyl-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)methanone
SMILESCC1(C)CN(C(=O)c2ccc(Cl)cc2)CC2CN(C3CCCCC3)CCN21
InChIInChI=1S/C22H32ClN3O/c1-22(2)16-25(21(27)17-8-10-18(23)11-9-17)15-20-14-24(12-13-26(20)22)19-6-4-3-5-7-19/h8-11,19-20H,3-7,12-16H2,1-2H3
InChIKeyCZUDMPHTFVVCML-UHFFFAOYSA-N
XLogP3.89
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.97
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(8-cyclohexyl-4,4-dimethyl-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)methanone?
The IUPAC name of (4-chlorophenyl)-(8-cyclohexyl-4,4-dimethyl-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)methanone (CID 162980604) is (4-chlorophenyl)-(8-cyclohexyl-4,4-dimethyl-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)methanone.
What is the SMILES notation for (4-chlorophenyl)-(8-cyclohexyl-4,4-dimethyl-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)methanone?
The canonical SMILES for (4-chlorophenyl)-(8-cyclohexyl-4,4-dimethyl-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)methanone is CC1(C)CN(C(=O)c2ccc(Cl)cc2)CC2CN(C3CCCCC3)CCN21.
What is the InChIKey of (4-chlorophenyl)-(8-cyclohexyl-4,4-dimethyl-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)methanone?
The InChIKey is CZUDMPHTFVVCML-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32ClN3O/c1-22(2)16-25(21(27)17-8-10-18(23)11-9-17)15-20-14-24(12-13-26(20)22)19-6-4-3-5-7-19/h8-11,19-20H,3-7,12-16H2,1-2H3.
What are the key properties of (4-chlorophenyl)-(8-cyclohexyl-4,4-dimethyl-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)methanone?
(4-chlorophenyl)-(8-cyclohexyl-4,4-dimethyl-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)methanone has a molecular weight of 389.97 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(8-cyclohexyl-4,4-dimethyl-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)methanone is sourced from PubChem (CID 162980604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).