N-[2-(difluoromethoxy)-6-methylphenyl]-4-(oxolan-3-ylmethyl)piperazine-1-carboxamide

C18H25F2N3O3 — CID 102559200

IUPACN-[2-(difluoromethoxy)-6-methylphenyl]-4-(oxolan-3-ylmethyl)piperazine-1-carboxamide
SMILESCc1cccc(OC(F)F)c1NC(=O)N1CCN(CC2CCOC2)CC1
InChIInChI=1S/C18H25F2N3O3/c1-13-3-2-4-15(26-17(19)20)16(13)21-18(24)23-8-6-22(7-9-23)11-14-5-10-25-12-14/h2-4,14,17H,5-12H2,1H3,(H,21,24)
InChIKeyAREVBDQAJSSQEF-UHFFFAOYSA-N
MW369.41 g/mol
LogP2.78
Rot. Bonds5

About N-[2-(difluoromethoxy)-6-methylphenyl]-4-(oxolan-3-ylmethyl)piperazine-1-carboxamide

N-[2-(difluoromethoxy)-6-methylphenyl]-4-(oxolan-3-ylmethyl)piperazine-1-carboxamide (PubChem CID 102559200) has the molecular formula C18H25F2N3O3 and a molecular weight of 369.41 g/mol. Its IUPAC name is N-[2-(difluoromethoxy)-6-methylphenyl]-4-(oxolan-3-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(difluoromethoxy)-6-methylphenyl]-4-(oxolan-3-ylmethyl)piperazine-1-carboxamide
PubChem CID102559200
Molecular FormulaC18H25F2N3O3
Molecular Weight369.41 g/mol
Exact Mass369.19
IUPAC NameN-[2-(difluoromethoxy)-6-methylphenyl]-4-(oxolan-3-ylmethyl)piperazine-1-carboxamide
SMILESCc1cccc(OC(F)F)c1NC(=O)N1CCN(CC2CCOC2)CC1
InChIInChI=1S/C18H25F2N3O3/c1-13-3-2-4-15(26-17(19)20)16(13)21-18(24)23-8-6-22(7-9-23)11-14-5-10-25-12-14/h2-4,14,17H,5-12H2,1H3,(H,21,24)
InChIKeyAREVBDQAJSSQEF-UHFFFAOYSA-N
XLogP2.78
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.41
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethoxy)-6-methylphenyl]-4-(oxolan-3-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of N-[2-(difluoromethoxy)-6-methylphenyl]-4-(oxolan-3-ylmethyl)piperazine-1-carboxamide (CID 102559200) is N-[2-(difluoromethoxy)-6-methylphenyl]-4-(oxolan-3-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[2-(difluoromethoxy)-6-methylphenyl]-4-(oxolan-3-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for N-[2-(difluoromethoxy)-6-methylphenyl]-4-(oxolan-3-ylmethyl)piperazine-1-carboxamide is Cc1cccc(OC(F)F)c1NC(=O)N1CCN(CC2CCOC2)CC1.
What is the InChIKey of N-[2-(difluoromethoxy)-6-methylphenyl]-4-(oxolan-3-ylmethyl)piperazine-1-carboxamide?
The InChIKey is AREVBDQAJSSQEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F2N3O3/c1-13-3-2-4-15(26-17(19)20)16(13)21-18(24)23-8-6-22(7-9-23)11-14-5-10-25-12-14/h2-4,14,17H,5-12H2,1H3,(H,21,24).
What are the key properties of N-[2-(difluoromethoxy)-6-methylphenyl]-4-(oxolan-3-ylmethyl)piperazine-1-carboxamide?
N-[2-(difluoromethoxy)-6-methylphenyl]-4-(oxolan-3-ylmethyl)piperazine-1-carboxamide has a molecular weight of 369.41 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethoxy)-6-methylphenyl]-4-(oxolan-3-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 102559200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).