2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(oxan-4-ylmethyl)acetamide

C20H28FN3O3 — CID 24794208

IUPAC2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(oxan-4-ylmethyl)acetamide
SMILESCN(CC1CCOCC1)C(=O)CC1C(=O)NCCN1Cc1cccc(F)c1
InChIInChI=1S/C20H28FN3O3/c1-23(13-15-5-9-27-10-6-15)19(25)12-18-20(26)22-7-8-24(18)14-16-3-2-4-17(21)11-16/h2-4,11,15,18H,5-10,12-14H2,1H3,(H,22,26)
InChIKeySPNJBJZJCDKAMQ-UHFFFAOYSA-N
MW377.46 g/mol
LogP1.40
Rot. Bonds6

About 2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(oxan-4-ylmethyl)acetamide

2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(oxan-4-ylmethyl)acetamide (PubChem CID 24794208) has the molecular formula C20H28FN3O3 and a molecular weight of 377.46 g/mol. Its IUPAC name is 2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(oxan-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(oxan-4-ylmethyl)acetamide
PubChem CID24794208
Molecular FormulaC20H28FN3O3
Molecular Weight377.46 g/mol
Exact Mass377.21
IUPAC Name2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(oxan-4-ylmethyl)acetamide
SMILESCN(CC1CCOCC1)C(=O)CC1C(=O)NCCN1Cc1cccc(F)c1
InChIInChI=1S/C20H28FN3O3/c1-23(13-15-5-9-27-10-6-15)19(25)12-18-20(26)22-7-8-24(18)14-16-3-2-4-17(21)11-16/h2-4,11,15,18H,5-10,12-14H2,1H3,(H,22,26)
InChIKeySPNJBJZJCDKAMQ-UHFFFAOYSA-N
XLogP1.40
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(oxan-4-ylmethyl)acetamide?
The IUPAC name of 2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(oxan-4-ylmethyl)acetamide (CID 24794208) is 2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(oxan-4-ylmethyl)acetamide.
What is the SMILES notation for 2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(oxan-4-ylmethyl)acetamide?
The canonical SMILES for 2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(oxan-4-ylmethyl)acetamide is CN(CC1CCOCC1)C(=O)CC1C(=O)NCCN1Cc1cccc(F)c1.
What is the InChIKey of 2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(oxan-4-ylmethyl)acetamide?
The InChIKey is SPNJBJZJCDKAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28FN3O3/c1-23(13-15-5-9-27-10-6-15)19(25)12-18-20(26)22-7-8-24(18)14-16-3-2-4-17(21)11-16/h2-4,11,15,18H,5-10,12-14H2,1H3,(H,22,26).
What are the key properties of 2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(oxan-4-ylmethyl)acetamide?
2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(oxan-4-ylmethyl)acetamide has a molecular weight of 377.46 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(oxan-4-ylmethyl)acetamide is sourced from PubChem (CID 24794208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).