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

C21H25FN4O2 — CID 42856893

IUPACN-[6-[4-(4-fluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccc(N2CCN(C(=O)c3ccc(F)cc3)CC2)nc1
InChIInChI=1S/C21H25FN4O2/c1-21(2,3)20(28)24-17-8-9-18(23-14-17)25-10-12-26(13-11-25)19(27)15-4-6-16(22)7-5-15/h4-9,14H,10-13H2,1-3H3,(H,24,28)
InChIKeyUJFRJZRXQZNIRO-UHFFFAOYSA-N
MW384.46 g/mol
LogP3.17
Rot. Bonds3

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

N-[6-[4-(4-fluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-2,2-dimethylpropanamide (PubChem CID 42856893) has the molecular formula C21H25FN4O2 and a molecular weight of 384.46 g/mol. Its IUPAC name is N-[6-[4-(4-fluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[6-[4-(4-fluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-2,2-dimethylpropanamide
PubChem CID42856893
Molecular FormulaC21H25FN4O2
Molecular Weight384.46 g/mol
Exact Mass384.20
IUPAC NameN-[6-[4-(4-fluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccc(N2CCN(C(=O)c3ccc(F)cc3)CC2)nc1
InChIInChI=1S/C21H25FN4O2/c1-21(2,3)20(28)24-17-8-9-18(23-14-17)25-10-12-26(13-11-25)19(27)15-4-6-16(22)7-5-15/h4-9,14H,10-13H2,1-3H3,(H,24,28)
InChIKeyUJFRJZRXQZNIRO-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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Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(4-fluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[6-[4-(4-fluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-2,2-dimethylpropanamide (CID 42856893) is N-[6-[4-(4-fluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[6-[4-(4-fluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[6-[4-(4-fluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1ccc(N2CCN(C(=O)c3ccc(F)cc3)CC2)nc1.
What is the InChIKey of N-[6-[4-(4-fluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-2,2-dimethylpropanamide?
The InChIKey is UJFRJZRXQZNIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O2/c1-21(2,3)20(28)24-17-8-9-18(23-14-17)25-10-12-26(13-11-25)19(27)15-4-6-16(22)7-5-15/h4-9,14H,10-13H2,1-3H3,(H,24,28).
What are the key properties of N-[6-[4-(4-fluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-2,2-dimethylpropanamide?
N-[6-[4-(4-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-(4-fluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 42856893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).