methyl 5-[4-(cyclohexylcarbamoyl)-3-propan-2-ylpiperazin-1-yl]pyrazine-2-carboxylate

C20H31N5O3 — CID 59690618

IUPACmethyl 5-[4-(cyclohexylcarbamoyl)-3-propan-2-ylpiperazin-1-yl]pyrazine-2-carboxylate
SMILESCOC(=O)c1cnc(N2CCN(C(=O)NC3CCCCC3)C(C(C)C)C2)cn1
InChIInChI=1S/C20H31N5O3/c1-14(2)17-13-24(18-12-21-16(11-22-18)19(26)28-3)9-10-25(17)20(27)23-15-7-5-4-6-8-15/h11-12,14-15,17H,4-10,13H2,1-3H3,(H,23,27)
InChIKeyHLSOFFKOHIKXCB-UHFFFAOYSA-N
MW389.50 g/mol
LogP2.45
Rot. Bonds4

About methyl 5-[4-(cyclohexylcarbamoyl)-3-propan-2-ylpiperazin-1-yl]pyrazine-2-carboxylate

methyl 5-[4-(cyclohexylcarbamoyl)-3-propan-2-ylpiperazin-1-yl]pyrazine-2-carboxylate (PubChem CID 59690618) has the molecular formula C20H31N5O3 and a molecular weight of 389.50 g/mol. Its IUPAC name is methyl 5-[4-(cyclohexylcarbamoyl)-3-propan-2-ylpiperazin-1-yl]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[4-(cyclohexylcarbamoyl)-3-propan-2-ylpiperazin-1-yl]pyrazine-2-carboxylate
PubChem CID59690618
Molecular FormulaC20H31N5O3
Molecular Weight389.50 g/mol
Exact Mass389.24
IUPAC Namemethyl 5-[4-(cyclohexylcarbamoyl)-3-propan-2-ylpiperazin-1-yl]pyrazine-2-carboxylate
SMILESCOC(=O)c1cnc(N2CCN(C(=O)NC3CCCCC3)C(C(C)C)C2)cn1
InChIInChI=1S/C20H31N5O3/c1-14(2)17-13-24(18-12-21-16(11-22-18)19(26)28-3)9-10-25(17)20(27)23-15-7-5-4-6-8-15/h11-12,14-15,17H,4-10,13H2,1-3H3,(H,23,27)
InChIKeyHLSOFFKOHIKXCB-UHFFFAOYSA-N
XLogP2.45
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 5-[4-(cyclohexylcarbamoyl)-3-propan-2-ylpiperazin-1-yl]pyrazine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 5-[4-(cyclohexylcarbamoyl)-3-propan-2-ylpiperazin-1-yl]pyrazine-2-carboxylate?
The IUPAC name of methyl 5-[4-(cyclohexylcarbamoyl)-3-propan-2-ylpiperazin-1-yl]pyrazine-2-carboxylate (CID 59690618) is methyl 5-[4-(cyclohexylcarbamoyl)-3-propan-2-ylpiperazin-1-yl]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 5-[4-(cyclohexylcarbamoyl)-3-propan-2-ylpiperazin-1-yl]pyrazine-2-carboxylate?
The canonical SMILES for methyl 5-[4-(cyclohexylcarbamoyl)-3-propan-2-ylpiperazin-1-yl]pyrazine-2-carboxylate is COC(=O)c1cnc(N2CCN(C(=O)NC3CCCCC3)C(C(C)C)C2)cn1.
What is the InChIKey of methyl 5-[4-(cyclohexylcarbamoyl)-3-propan-2-ylpiperazin-1-yl]pyrazine-2-carboxylate?
The InChIKey is HLSOFFKOHIKXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5O3/c1-14(2)17-13-24(18-12-21-16(11-22-18)19(26)28-3)9-10-25(17)20(27)23-15-7-5-4-6-8-15/h11-12,14-15,17H,4-10,13H2,1-3H3,(H,23,27).
What are the key properties of methyl 5-[4-(cyclohexylcarbamoyl)-3-propan-2-ylpiperazin-1-yl]pyrazine-2-carboxylate?
methyl 5-[4-(cyclohexylcarbamoyl)-3-propan-2-ylpiperazin-1-yl]pyrazine-2-carboxylate has a molecular weight of 389.50 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[4-(cyclohexylcarbamoyl)-3-propan-2-ylpiperazin-1-yl]pyrazine-2-carboxylate is sourced from PubChem (CID 59690618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).