4-cyclohexyl-N-[(2,6-difluoro-3-methylphenyl)methyl]-3-oxopiperazine-1-carboxamide

C19H25F2N3O2 — CID 119071281

IUPAC4-cyclohexyl-N-[(2,6-difluoro-3-methylphenyl)methyl]-3-oxopiperazine-1-carboxamide
SMILESCc1ccc(F)c(CNC(=O)N2CCN(C3CCCCC3)C(=O)C2)c1F
InChIInChI=1S/C19H25F2N3O2/c1-13-7-8-16(20)15(18(13)21)11-22-19(26)23-9-10-24(17(25)12-23)14-5-3-2-4-6-14/h7-8,14H,2-6,9-12H2,1H3,(H,22,26)
InChIKeyDLPZEDZPLQTXPD-UHFFFAOYSA-N
MW365.42 g/mol
LogP2.96
Rot. Bonds3

About 4-cyclohexyl-N-[(2,6-difluoro-3-methylphenyl)methyl]-3-oxopiperazine-1-carboxamide

4-cyclohexyl-N-[(2,6-difluoro-3-methylphenyl)methyl]-3-oxopiperazine-1-carboxamide (PubChem CID 119071281) has the molecular formula C19H25F2N3O2 and a molecular weight of 365.42 g/mol. Its IUPAC name is 4-cyclohexyl-N-[(2,6-difluoro-3-methylphenyl)methyl]-3-oxopiperazine-1-carboxamide.

Molecular Properties

Compound Name4-cyclohexyl-N-[(2,6-difluoro-3-methylphenyl)methyl]-3-oxopiperazine-1-carboxamide
PubChem CID119071281
Molecular FormulaC19H25F2N3O2
Molecular Weight365.42 g/mol
Exact Mass365.19
IUPAC Name4-cyclohexyl-N-[(2,6-difluoro-3-methylphenyl)methyl]-3-oxopiperazine-1-carboxamide
SMILESCc1ccc(F)c(CNC(=O)N2CCN(C3CCCCC3)C(=O)C2)c1F
InChIInChI=1S/C19H25F2N3O2/c1-13-7-8-16(20)15(18(13)21)11-22-19(26)23-9-10-24(17(25)12-23)14-5-3-2-4-6-14/h7-8,14H,2-6,9-12H2,1H3,(H,22,26)
InChIKeyDLPZEDZPLQTXPD-UHFFFAOYSA-N
XLogP2.96
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.42
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-N-[(2,6-difluoro-3-methylphenyl)methyl]-3-oxopiperazine-1-carboxamide?
The IUPAC name of 4-cyclohexyl-N-[(2,6-difluoro-3-methylphenyl)methyl]-3-oxopiperazine-1-carboxamide (CID 119071281) is 4-cyclohexyl-N-[(2,6-difluoro-3-methylphenyl)methyl]-3-oxopiperazine-1-carboxamide.
What is the SMILES notation for 4-cyclohexyl-N-[(2,6-difluoro-3-methylphenyl)methyl]-3-oxopiperazine-1-carboxamide?
The canonical SMILES for 4-cyclohexyl-N-[(2,6-difluoro-3-methylphenyl)methyl]-3-oxopiperazine-1-carboxamide is Cc1ccc(F)c(CNC(=O)N2CCN(C3CCCCC3)C(=O)C2)c1F.
What is the InChIKey of 4-cyclohexyl-N-[(2,6-difluoro-3-methylphenyl)methyl]-3-oxopiperazine-1-carboxamide?
The InChIKey is DLPZEDZPLQTXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F2N3O2/c1-13-7-8-16(20)15(18(13)21)11-22-19(26)23-9-10-24(17(25)12-23)14-5-3-2-4-6-14/h7-8,14H,2-6,9-12H2,1H3,(H,22,26).
What are the key properties of 4-cyclohexyl-N-[(2,6-difluoro-3-methylphenyl)methyl]-3-oxopiperazine-1-carboxamide?
4-cyclohexyl-N-[(2,6-difluoro-3-methylphenyl)methyl]-3-oxopiperazine-1-carboxamide has a molecular weight of 365.42 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-N-[(2,6-difluoro-3-methylphenyl)methyl]-3-oxopiperazine-1-carboxamide is sourced from PubChem (CID 119071281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).