(2R)-4-(4-fluorobenzoyl)-N,1-dimethylpiperazine-2-carboxamide

C14H18FN3O2 — CID 124993020

IUPAC(2R)-4-(4-fluorobenzoyl)-N,1-dimethylpiperazine-2-carboxamide
SMILESCNC(=O)[C@H]1CN(C(=O)c2ccc(F)cc2)CCN1C
InChIInChI=1S/C14H18FN3O2/c1-16-13(19)12-9-18(8-7-17(12)2)14(20)10-3-5-11(15)6-4-10/h3-6,12H,7-9H2,1-2H3,(H,16,19)/t12-/m1/s1
InChIKeyPURBGRPXGBCWIL-GFCCVEGCSA-N
MW279.31 g/mol
LogP0.33
Rot. Bonds2

About (2R)-4-(4-fluorobenzoyl)-N,1-dimethylpiperazine-2-carboxamide

(2R)-4-(4-fluorobenzoyl)-N,1-dimethylpiperazine-2-carboxamide (PubChem CID 124993020) has the molecular formula C14H18FN3O2 and a molecular weight of 279.31 g/mol. Its IUPAC name is (2R)-4-(4-fluorobenzoyl)-N,1-dimethylpiperazine-2-carboxamide.

Molecular Properties

Compound Name(2R)-4-(4-fluorobenzoyl)-N,1-dimethylpiperazine-2-carboxamide
PubChem CID124993020
Molecular FormulaC14H18FN3O2
Molecular Weight279.31 g/mol
Exact Mass279.14
IUPAC Name(2R)-4-(4-fluorobenzoyl)-N,1-dimethylpiperazine-2-carboxamide
SMILESCNC(=O)[C@H]1CN(C(=O)c2ccc(F)cc2)CCN1C
InChIInChI=1S/C14H18FN3O2/c1-16-13(19)12-9-18(8-7-17(12)2)14(20)10-3-5-11(15)6-4-10/h3-6,12H,7-9H2,1-2H3,(H,16,19)/t12-/m1/s1
InChIKeyPURBGRPXGBCWIL-GFCCVEGCSA-N
XLogP0.33
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,1-dimethyl-4-(4-methylbenzoyl)piperazine-2-carboxamide
CID 121451737
(2S)-4-(5-fluoro-1-methylindole-2-carbonyl)-N,1-dimethylpiperazine-2-carboxamide
CID 125017209
1-(4-fluorobenzoyl)-N-methylpiperidine-3-carboxamide
CID 47128312
(4-fluorophenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride
CID 119413852
(4-fluorophenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 62535610
(2S)-1-(4-fluorobenzoyl)-N-methylpiperazine-2-carboxamide
CID 124513939
(4-fluorophenyl)-[(3S)-3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 172646152
[3-(4-fluorophenyl)-4-methylpiperazin-1-yl]-pyridin-4-ylmethanone
CID 84513587
(4-fluorophenyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 63264042
[3-(4-fluorophenyl)-4-methylpiperazin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 110416916
(4-fluorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 3113489
(2S)-4-(4-fluorobenzoyl)-1-propan-2-ylpiperazine-2-carboxamide
CID 125016909

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(4-fluorobenzoyl)-N,1-dimethylpiperazine-2-carboxamide?
The IUPAC name of (2R)-4-(4-fluorobenzoyl)-N,1-dimethylpiperazine-2-carboxamide (CID 124993020) is (2R)-4-(4-fluorobenzoyl)-N,1-dimethylpiperazine-2-carboxamide.
What is the SMILES notation for (2R)-4-(4-fluorobenzoyl)-N,1-dimethylpiperazine-2-carboxamide?
The canonical SMILES for (2R)-4-(4-fluorobenzoyl)-N,1-dimethylpiperazine-2-carboxamide is CNC(=O)[C@H]1CN(C(=O)c2ccc(F)cc2)CCN1C.
What is the InChIKey of (2R)-4-(4-fluorobenzoyl)-N,1-dimethylpiperazine-2-carboxamide?
The InChIKey is PURBGRPXGBCWIL-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H18FN3O2/c1-16-13(19)12-9-18(8-7-17(12)2)14(20)10-3-5-11(15)6-4-10/h3-6,12H,7-9H2,1-2H3,(H,16,19)/t12-/m1/s1.
What are the key properties of (2R)-4-(4-fluorobenzoyl)-N,1-dimethylpiperazine-2-carboxamide?
(2R)-4-(4-fluorobenzoyl)-N,1-dimethylpiperazine-2-carboxamide has a molecular weight of 279.31 g/mol, XLogP of 0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(4-fluorobenzoyl)-N,1-dimethylpiperazine-2-carboxamide is sourced from PubChem (CID 124993020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).