N-[6-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-2,2-dimethylpropanamide

C21H25FN4O2 — CID 46157099

IUPACN-[6-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccc(N2CCN(C(=O)c3cccc(F)c3)CC2)nc1
InChIInChI=1S/C21H25FN4O2/c1-21(2,3)20(28)24-17-7-8-18(23-14-17)25-9-11-26(12-10-25)19(27)15-5-4-6-16(22)13-15/h4-8,13-14H,9-12H2,1-3H3,(H,24,28)
InChIKeyQOSGWYLSYPNWMZ-UHFFFAOYSA-N
MW384.46 g/mol
LogP3.17
Rot. Bonds3

About N-[6-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-2,2-dimethylpropanamide

N-[6-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-2,2-dimethylpropanamide (PubChem CID 46157099) has the molecular formula C21H25FN4O2 and a molecular weight of 384.46 g/mol. Its IUPAC name is N-[6-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[6-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-2,2-dimethylpropanamide
PubChem CID46157099
Molecular FormulaC21H25FN4O2
Molecular Weight384.46 g/mol
Exact Mass384.20
IUPAC NameN-[6-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccc(N2CCN(C(=O)c3cccc(F)c3)CC2)nc1
InChIInChI=1S/C21H25FN4O2/c1-21(2,3)20(28)24-17-7-8-18(23-14-17)25-9-11-26(12-10-25)19(27)15-5-4-6-16(22)13-15/h4-8,13-14H,9-12H2,1-3H3,(H,24,28)
InChIKeyQOSGWYLSYPNWMZ-UHFFFAOYSA-N
XLogP3.17
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-[4-(4-fluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-2,2-dimethylpropanamide
CID 42856893
N-[6-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)benzamide
CID 46041909
1-(2-chlorophenyl)-3-[6-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-3-pyridinyl]urea
CID 46053467
N-[6-[4-(3,5-difluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-3-methoxybenzamide
CID 46053044
N-[6-(azepan-1-yl)-3-pyridinyl]-2,2-dimethylpropanamide
CID 113015875
1-[6-[4-(3,5-difluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-3-ethylurea
CID 46161079
3-fluoro-N-[6-[4-(2-fluorophenyl)piperazin-1-yl]-3-pyridinyl]benzamide
CID 113014415
2,2-dimethyl-N-(6-morpholin-4-yl-3-pyridinyl)propanamide
CID 11391397
N-[6-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-pyridinyl]benzamide
CID 46041970
N-[6-[4-(3-bromobenzoyl)-1,4-diazepan-1-yl]-3-pyridinyl]-4-tert-butylbenzamide
CID 42856918
1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110365289
2,4-difluoro-N-[6-[4-(4-methylbenzoyl)piperazin-1-yl]-3-pyridinyl]benzamide
CID 46041854

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[6-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-2,2-dimethylpropanamide (CID 46157099) is N-[6-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[6-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[6-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1ccc(N2CCN(C(=O)c3cccc(F)c3)CC2)nc1.
What is the InChIKey of N-[6-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-2,2-dimethylpropanamide?
The InChIKey is QOSGWYLSYPNWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O2/c1-21(2,3)20(28)24-17-7-8-18(23-14-17)25-9-11-26(12-10-25)19(27)15-5-4-6-16(22)13-15/h4-8,13-14H,9-12H2,1-3H3,(H,24,28).
What are the key properties of N-[6-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-2,2-dimethylpropanamide?
N-[6-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-2,2-dimethylpropanamide has a molecular weight of 384.46 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 46157099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).