(2S)-1-[2-(4-fluorophenyl)acetyl]-N-methylpiperazine-2-carboxamide

C14H18FN3O2 — CID 124513931

IUPAC(2S)-1-[2-(4-fluorophenyl)acetyl]-N-methylpiperazine-2-carboxamide
SMILESCNC(=O)[C@@H]1CNCCN1C(=O)Cc1ccc(F)cc1
InChIInChI=1S/C14H18FN3O2/c1-16-14(20)12-9-17-6-7-18(12)13(19)8-10-2-4-11(15)5-3-10/h2-5,12,17H,6-9H2,1H3,(H,16,20)/t12-/m0/s1
InChIKeyAGVOKFKBRGMNKF-LBPRGKRZSA-N
MW279.31 g/mol
LogP-0.09
Rot. Bonds3

About (2S)-1-[2-(4-fluorophenyl)acetyl]-N-methylpiperazine-2-carboxamide

(2S)-1-[2-(4-fluorophenyl)acetyl]-N-methylpiperazine-2-carboxamide (PubChem CID 124513931) has the molecular formula C14H18FN3O2 and a molecular weight of 279.31 g/mol. Its IUPAC name is (2S)-1-[2-(4-fluorophenyl)acetyl]-N-methylpiperazine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[2-(4-fluorophenyl)acetyl]-N-methylpiperazine-2-carboxamide
PubChem CID124513931
Molecular FormulaC14H18FN3O2
Molecular Weight279.31 g/mol
Exact Mass279.14
IUPAC Name(2S)-1-[2-(4-fluorophenyl)acetyl]-N-methylpiperazine-2-carboxamide
SMILESCNC(=O)[C@@H]1CNCCN1C(=O)Cc1ccc(F)cc1
InChIInChI=1S/C14H18FN3O2/c1-16-14(20)12-9-17-6-7-18(12)13(19)8-10-2-4-11(15)5-3-10/h2-5,12,17H,6-9H2,1H3,(H,16,20)/t12-/m0/s1
InChIKeyAGVOKFKBRGMNKF-LBPRGKRZSA-N
XLogP-0.09
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-(4-fluorophenyl)acetyl]-N-methylpiperazine-2-carboxamide?
The IUPAC name of (2S)-1-[2-(4-fluorophenyl)acetyl]-N-methylpiperazine-2-carboxamide (CID 124513931) is (2S)-1-[2-(4-fluorophenyl)acetyl]-N-methylpiperazine-2-carboxamide.
What is the SMILES notation for (2S)-1-[2-(4-fluorophenyl)acetyl]-N-methylpiperazine-2-carboxamide?
The canonical SMILES for (2S)-1-[2-(4-fluorophenyl)acetyl]-N-methylpiperazine-2-carboxamide is CNC(=O)[C@@H]1CNCCN1C(=O)Cc1ccc(F)cc1.
What is the InChIKey of (2S)-1-[2-(4-fluorophenyl)acetyl]-N-methylpiperazine-2-carboxamide?
The InChIKey is AGVOKFKBRGMNKF-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H18FN3O2/c1-16-14(20)12-9-17-6-7-18(12)13(19)8-10-2-4-11(15)5-3-10/h2-5,12,17H,6-9H2,1H3,(H,16,20)/t12-/m0/s1.
What are the key properties of (2S)-1-[2-(4-fluorophenyl)acetyl]-N-methylpiperazine-2-carboxamide?
(2S)-1-[2-(4-fluorophenyl)acetyl]-N-methylpiperazine-2-carboxamide has a molecular weight of 279.31 g/mol, XLogP of -0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-(4-fluorophenyl)acetyl]-N-methylpiperazine-2-carboxamide is sourced from PubChem (CID 124513931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).