1-[1-[2-(2,6-dimethylphenoxy)ethyl]piperidin-3-yl]piperazin-2-one

C19H29N3O2 — CID 120983046

IUPAC1-[1-[2-(2,6-dimethylphenoxy)ethyl]piperidin-3-yl]piperazin-2-one
SMILESCc1cccc(C)c1OCCN1CCCC(N2CCNCC2=O)C1
InChIInChI=1S/C19H29N3O2/c1-15-5-3-6-16(2)19(15)24-12-11-21-9-4-7-17(14-21)22-10-8-20-13-18(22)23/h3,5-6,17,20H,4,7-14H2,1-2H3
InChIKeyIGCPINKRMPLUIA-UHFFFAOYSA-N
MW331.46 g/mol
LogP1.58
Rot. Bonds5

About 1-[1-[2-(2,6-dimethylphenoxy)ethyl]piperidin-3-yl]piperazin-2-one

1-[1-[2-(2,6-dimethylphenoxy)ethyl]piperidin-3-yl]piperazin-2-one (PubChem CID 120983046) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 1-[1-[2-(2,6-dimethylphenoxy)ethyl]piperidin-3-yl]piperazin-2-one.

Molecular Properties

Compound Name1-[1-[2-(2,6-dimethylphenoxy)ethyl]piperidin-3-yl]piperazin-2-one
PubChem CID120983046
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name1-[1-[2-(2,6-dimethylphenoxy)ethyl]piperidin-3-yl]piperazin-2-one
SMILESCc1cccc(C)c1OCCN1CCCC(N2CCNCC2=O)C1
InChIInChI=1S/C19H29N3O2/c1-15-5-3-6-16(2)19(15)24-12-11-21-9-4-7-17(14-21)22-10-8-20-13-18(22)23/h3,5-6,17,20H,4,7-14H2,1-2H3
InChIKeyIGCPINKRMPLUIA-UHFFFAOYSA-N
XLogP1.58
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(2,6-dimethylphenoxy)ethyl]piperidin-3-yl]piperazin-2-one?
The IUPAC name of 1-[1-[2-(2,6-dimethylphenoxy)ethyl]piperidin-3-yl]piperazin-2-one (CID 120983046) is 1-[1-[2-(2,6-dimethylphenoxy)ethyl]piperidin-3-yl]piperazin-2-one.
What is the SMILES notation for 1-[1-[2-(2,6-dimethylphenoxy)ethyl]piperidin-3-yl]piperazin-2-one?
The canonical SMILES for 1-[1-[2-(2,6-dimethylphenoxy)ethyl]piperidin-3-yl]piperazin-2-one is Cc1cccc(C)c1OCCN1CCCC(N2CCNCC2=O)C1.
What is the InChIKey of 1-[1-[2-(2,6-dimethylphenoxy)ethyl]piperidin-3-yl]piperazin-2-one?
The InChIKey is IGCPINKRMPLUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-15-5-3-6-16(2)19(15)24-12-11-21-9-4-7-17(14-21)22-10-8-20-13-18(22)23/h3,5-6,17,20H,4,7-14H2,1-2H3.
What are the key properties of 1-[1-[2-(2,6-dimethylphenoxy)ethyl]piperidin-3-yl]piperazin-2-one?
1-[1-[2-(2,6-dimethylphenoxy)ethyl]piperidin-3-yl]piperazin-2-one has a molecular weight of 331.46 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(2,6-dimethylphenoxy)ethyl]piperidin-3-yl]piperazin-2-one is sourced from PubChem (CID 120983046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).