1-[2-(dimethylamino)acetyl]-4-(4-fluorophenyl)piperazine-2-carboxamide

C15H21FN4O2 — CID 175661563

IUPAC1-[2-(dimethylamino)acetyl]-4-(4-fluorophenyl)piperazine-2-carboxamide
SMILESCN(C)CC(=O)N1CCN(c2ccc(F)cc2)CC1C(N)=O
InChIInChI=1S/C15H21FN4O2/c1-18(2)10-14(21)20-8-7-19(9-13(20)15(17)22)12-5-3-11(16)4-6-12/h3-6,13H,7-10H2,1-2H3,(H2,17,22)
InChIKeyGKDMOIDDMFIWJA-UHFFFAOYSA-N
MW308.36 g/mol
LogP-0.11
Rot. Bonds4

About 1-[2-(dimethylamino)acetyl]-4-(4-fluorophenyl)piperazine-2-carboxamide

1-[2-(dimethylamino)acetyl]-4-(4-fluorophenyl)piperazine-2-carboxamide (PubChem CID 175661563) has the molecular formula C15H21FN4O2 and a molecular weight of 308.36 g/mol. Its IUPAC name is 1-[2-(dimethylamino)acetyl]-4-(4-fluorophenyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name1-[2-(dimethylamino)acetyl]-4-(4-fluorophenyl)piperazine-2-carboxamide
PubChem CID175661563
Molecular FormulaC15H21FN4O2
Molecular Weight308.36 g/mol
Exact Mass308.16
IUPAC Name1-[2-(dimethylamino)acetyl]-4-(4-fluorophenyl)piperazine-2-carboxamide
SMILESCN(C)CC(=O)N1CCN(c2ccc(F)cc2)CC1C(N)=O
InChIInChI=1S/C15H21FN4O2/c1-18(2)10-14(21)20-8-7-19(9-13(20)15(17)22)12-5-3-11(16)4-6-12/h3-6,13H,7-10H2,1-2H3,(H2,17,22)
InChIKeyGKDMOIDDMFIWJA-UHFFFAOYSA-N
XLogP-0.11
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)acetyl]-4-(4-fluorophenyl)piperazine-2-carboxamide?
The IUPAC name of 1-[2-(dimethylamino)acetyl]-4-(4-fluorophenyl)piperazine-2-carboxamide (CID 175661563) is 1-[2-(dimethylamino)acetyl]-4-(4-fluorophenyl)piperazine-2-carboxamide.
What is the SMILES notation for 1-[2-(dimethylamino)acetyl]-4-(4-fluorophenyl)piperazine-2-carboxamide?
The canonical SMILES for 1-[2-(dimethylamino)acetyl]-4-(4-fluorophenyl)piperazine-2-carboxamide is CN(C)CC(=O)N1CCN(c2ccc(F)cc2)CC1C(N)=O.
What is the InChIKey of 1-[2-(dimethylamino)acetyl]-4-(4-fluorophenyl)piperazine-2-carboxamide?
The InChIKey is GKDMOIDDMFIWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN4O2/c1-18(2)10-14(21)20-8-7-19(9-13(20)15(17)22)12-5-3-11(16)4-6-12/h3-6,13H,7-10H2,1-2H3,(H2,17,22).
What are the key properties of 1-[2-(dimethylamino)acetyl]-4-(4-fluorophenyl)piperazine-2-carboxamide?
1-[2-(dimethylamino)acetyl]-4-(4-fluorophenyl)piperazine-2-carboxamide has a molecular weight of 308.36 g/mol, XLogP of -0.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)acetyl]-4-(4-fluorophenyl)piperazine-2-carboxamide is sourced from PubChem (CID 175661563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).