N-butyl-2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]propanamide

C16H25FN4O — CID 126804234

IUPACN-butyl-2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]propanamide
SMILESCCCCNC(=O)C(C)N1CCN(c2ccc(F)cn2)CC1
InChIInChI=1S/C16H25FN4O/c1-3-4-7-18-16(22)13(2)20-8-10-21(11-9-20)15-6-5-14(17)12-19-15/h5-6,12-13H,3-4,7-11H2,1-2H3,(H,18,22)
InChIKeyURQYYWFOIXSWEG-UHFFFAOYSA-N
MW308.40 g/mol
LogP1.65
Rot. Bonds6

About N-butyl-2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]propanamide

N-butyl-2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]propanamide (PubChem CID 126804234) has the molecular formula C16H25FN4O and a molecular weight of 308.40 g/mol. Its IUPAC name is N-butyl-2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-butyl-2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]propanamide
PubChem CID126804234
Molecular FormulaC16H25FN4O
Molecular Weight308.40 g/mol
Exact Mass308.20
IUPAC NameN-butyl-2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]propanamide
SMILESCCCCNC(=O)C(C)N1CCN(c2ccc(F)cn2)CC1
InChIInChI=1S/C16H25FN4O/c1-3-4-7-18-16(22)13(2)20-8-10-21(11-9-20)15-6-5-14(17)12-19-15/h5-6,12-13H,3-4,7-11H2,1-2H3,(H,18,22)
InChIKeyURQYYWFOIXSWEG-UHFFFAOYSA-N
XLogP1.65
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-ethoxypropyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 134038228
N-ethyl-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 78698233
N-prop-2-enyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanamide
CID 51243330
2-[4-[5-(aminomethyl)-2-pyridinyl]piperazin-1-yl]-N-methylpropanamide
CID 107355767
1-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-2-pentoxyethanone
CID 126799742
N-butyl-2-(4-oxopiperidin-1-yl)propanamide
CID 43112432
(2S)-N-[(4-fluorophenyl)methyl]-2-[4-[(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]piperazin-1-yl]propanamide
CID 30958923
4-[5-(aminomethyl)-2-pyridinyl]-N-butylpiperazine-1-carboxamide
CID 107355691
N-butyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
CID 9288574
N-(cyclohexylmethyl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]propanamide
CID 46615203
1-[4-(5-fluoro-2-pyridinyl)-1,4-diazepan-1-yl]-2-methylpropan-1-one
CID 176935100
(1R)-1-[1-(5-fluoro-2-pyridinyl)piperidin-4-yl]ethanol
CID 100670630

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]propanamide?
The IUPAC name of N-butyl-2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]propanamide (CID 126804234) is N-butyl-2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-butyl-2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-butyl-2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]propanamide is CCCCNC(=O)C(C)N1CCN(c2ccc(F)cn2)CC1.
What is the InChIKey of N-butyl-2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]propanamide?
The InChIKey is URQYYWFOIXSWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN4O/c1-3-4-7-18-16(22)13(2)20-8-10-21(11-9-20)15-6-5-14(17)12-19-15/h5-6,12-13H,3-4,7-11H2,1-2H3,(H,18,22).
What are the key properties of N-butyl-2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]propanamide?
N-butyl-2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]propanamide has a molecular weight of 308.40 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 126804234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).