1-(cyclohexylmethyl)-5-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]piperidin-2-one

C23H35N5O2 — CID 45176982

IUPAC1-(cyclohexylmethyl)-5-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]piperidin-2-one
SMILESCc1cnc(C)c(N2CCN(C(=O)C3CCC(=O)N(CC4CCCCC4)C3)CC2)n1
InChIInChI=1S/C23H35N5O2/c1-17-14-24-18(2)22(25-17)26-10-12-27(13-11-26)23(30)20-8-9-21(29)28(16-20)15-19-6-4-3-5-7-19/h14,19-20H,3-13,15-16H2,1-2H3
InChIKeyUZOAEACLHGRTEA-UHFFFAOYSA-N
MW413.57 g/mol
LogP2.56
Rot. Bonds4

About 1-(cyclohexylmethyl)-5-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]piperidin-2-one

1-(cyclohexylmethyl)-5-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]piperidin-2-one (PubChem CID 45176982) has the molecular formula C23H35N5O2 and a molecular weight of 413.57 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-5-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]piperidin-2-one.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-5-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]piperidin-2-one
PubChem CID45176982
Molecular FormulaC23H35N5O2
Molecular Weight413.57 g/mol
Exact Mass413.28
IUPAC Name1-(cyclohexylmethyl)-5-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]piperidin-2-one
SMILESCc1cnc(C)c(N2CCN(C(=O)C3CCC(=O)N(CC4CCCCC4)C3)CC2)n1
InChIInChI=1S/C23H35N5O2/c1-17-14-24-18(2)22(25-17)26-10-12-27(13-11-26)23(30)20-8-9-21(29)28(16-20)15-19-6-4-3-5-7-19/h14,19-20H,3-13,15-16H2,1-2H3
InChIKeyUZOAEACLHGRTEA-UHFFFAOYSA-N
XLogP2.56
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.57
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-5-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]piperidin-2-one?
The IUPAC name of 1-(cyclohexylmethyl)-5-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]piperidin-2-one (CID 45176982) is 1-(cyclohexylmethyl)-5-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]piperidin-2-one.
What is the SMILES notation for 1-(cyclohexylmethyl)-5-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]piperidin-2-one?
The canonical SMILES for 1-(cyclohexylmethyl)-5-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]piperidin-2-one is Cc1cnc(C)c(N2CCN(C(=O)C3CCC(=O)N(CC4CCCCC4)C3)CC2)n1.
What is the InChIKey of 1-(cyclohexylmethyl)-5-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]piperidin-2-one?
The InChIKey is UZOAEACLHGRTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N5O2/c1-17-14-24-18(2)22(25-17)26-10-12-27(13-11-26)23(30)20-8-9-21(29)28(16-20)15-19-6-4-3-5-7-19/h14,19-20H,3-13,15-16H2,1-2H3.
What are the key properties of 1-(cyclohexylmethyl)-5-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]piperidin-2-one?
1-(cyclohexylmethyl)-5-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]piperidin-2-one has a molecular weight of 413.57 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-5-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]piperidin-2-one is sourced from PubChem (CID 45176982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).