N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(3-oxopiperazin-1-yl)acetamide

C17H20FN5O2 — CID 40792493

IUPACN-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(3-oxopiperazin-1-yl)acetamide
SMILESCn1ccnc1[C@@H](NC(=O)CN1CCNC(=O)C1)c1ccc(F)cc1
InChIInChI=1S/C17H20FN5O2/c1-22-8-6-20-17(22)16(12-2-4-13(18)5-3-12)21-15(25)11-23-9-7-19-14(24)10-23/h2-6,8,16H,7,9-11H2,1H3,(H,19,24)(H,21,25)/t16-/m0/s1
InChIKeyRQHLKFPQNRMGAR-INIZCTEOSA-N
MW345.38 g/mol
LogP0.20
Rot. Bonds5

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

N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(3-oxopiperazin-1-yl)acetamide (PubChem CID 40792493) has the molecular formula C17H20FN5O2 and a molecular weight of 345.38 g/mol. Its IUPAC name is N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(3-oxopiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(3-oxopiperazin-1-yl)acetamide
PubChem CID40792493
Molecular FormulaC17H20FN5O2
Molecular Weight345.38 g/mol
Exact Mass345.16
IUPAC NameN-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(3-oxopiperazin-1-yl)acetamide
SMILESCn1ccnc1[C@@H](NC(=O)CN1CCNC(=O)C1)c1ccc(F)cc1
InChIInChI=1S/C17H20FN5O2/c1-22-8-6-20-17(22)16(12-2-4-13(18)5-3-12)21-15(25)11-23-9-7-19-14(24)10-23/h2-6,8,16H,7,9-11H2,1H3,(H,19,24)(H,21,25)/t16-/m0/s1
InChIKeyRQHLKFPQNRMGAR-INIZCTEOSA-N
XLogP0.20
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-fluorophenyl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]butanamide
CID 55925130
2-(3-fluorophenyl)-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 40952505
N-[(1-methylimidazol-2-yl)-phenylmethyl]-2-piperidin-1-ylacetamide
CID 17490913
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methoxypropanamide
CID 110429258
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 25352263
2-(3,4-dichlorophenyl)-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 25358319
N-[2-[[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-2-oxoethyl]-4-methylbenzamide
CID 25358357
2-(2,6-dimethylphenoxy)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 51260009
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 46698593
N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methylphenyl)acetamide
CID 25338605
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methylbutanamide
CID 51331957
2-(4-cyanophenoxy)-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 41023714

Frequently Asked Questions

What is the IUPAC name of N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(3-oxopiperazin-1-yl)acetamide?
The IUPAC name of N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(3-oxopiperazin-1-yl)acetamide (CID 40792493) is N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(3-oxopiperazin-1-yl)acetamide.
What is the SMILES notation for N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(3-oxopiperazin-1-yl)acetamide?
The canonical SMILES for N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(3-oxopiperazin-1-yl)acetamide is Cn1ccnc1[C@@H](NC(=O)CN1CCNC(=O)C1)c1ccc(F)cc1.
What is the InChIKey of N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(3-oxopiperazin-1-yl)acetamide?
The InChIKey is RQHLKFPQNRMGAR-INIZCTEOSA-N. The full InChI is InChI=1S/C17H20FN5O2/c1-22-8-6-20-17(22)16(12-2-4-13(18)5-3-12)21-15(25)11-23-9-7-19-14(24)10-23/h2-6,8,16H,7,9-11H2,1H3,(H,19,24)(H,21,25)/t16-/m0/s1.
What are the key properties of N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(3-oxopiperazin-1-yl)acetamide?
N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(3-oxopiperazin-1-yl)acetamide has a molecular weight of 345.38 g/mol, XLogP of 0.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(3-oxopiperazin-1-yl)acetamide is sourced from PubChem (CID 40792493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).