N-tert-butyl-2-[4-(6-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]acetamide

C16H25FN4O — CID 172904884

IUPACN-tert-butyl-2-[4-(6-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]acetamide
SMILESCC1CN(CC(=O)NC(C)(C)C)CCN1c1cccc(F)n1
InChIInChI=1S/C16H25FN4O/c1-12-10-20(11-15(22)19-16(2,3)4)8-9-21(12)14-7-5-6-13(17)18-14/h5-7,12H,8-11H2,1-4H3,(H,19,22)
InChIKeyQICSLQYQAQSFOK-UHFFFAOYSA-N
MW308.40 g/mol
LogP1.65
Rot. Bonds3

About N-tert-butyl-2-[4-(6-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]acetamide

N-tert-butyl-2-[4-(6-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]acetamide (PubChem CID 172904884) has the molecular formula C16H25FN4O and a molecular weight of 308.40 g/mol. Its IUPAC name is N-tert-butyl-2-[4-(6-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[4-(6-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]acetamide
PubChem CID172904884
Molecular FormulaC16H25FN4O
Molecular Weight308.40 g/mol
Exact Mass308.20
IUPAC NameN-tert-butyl-2-[4-(6-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]acetamide
SMILESCC1CN(CC(=O)NC(C)(C)C)CCN1c1cccc(F)n1
InChIInChI=1S/C16H25FN4O/c1-12-10-20(11-15(22)19-16(2,3)4)8-9-21(12)14-7-5-6-13(17)18-14/h5-7,12H,8-11H2,1-4H3,(H,19,22)
InChIKeyQICSLQYQAQSFOK-UHFFFAOYSA-N
XLogP1.65
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
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': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-[4-(6-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]propan-2-ol
CID 171999652
4-[[3-(difluoromethyl)-1-methylpyrazol-4-yl]methyl]-1-(6-fluoro-2-pyridinyl)-2-methylpiperazine
CID 172904932
N-(3,5-dimethylphenyl)-2-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]acetamide
CID 171691064
N-tert-butyl-2-[(3R,5S)-4-[2-(tert-butylamino)-2-oxoethyl]-3,5-dimethylpiperazin-1-yl]acetamide
CID 99786847
N-tert-butyl-2-(3-fluoroazetidin-1-yl)acetamide
CID 129033915
2-(2,4-dimethylpiperidin-1-yl)-6-fluoropyridine
CID 62330409
N-tert-butyl-2-[(3S)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]acetamide
CID 95716250
N-(1-cyano-1-cyclopropylethyl)-2-[3-methyl-4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]acetamide
CID 56778651
1-(6-fluoro-2-pyridinyl)-2-methylpiperazine
CID 82670139
1-[2-(tert-butylamino)-2-oxoethyl]piperidine-3,4-dicarboxylic acid
CID 115918685
N-tert-butyl-2-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]acetamide
CID 99631729
2-[(3S)-3-aminopyrrolidin-1-yl]-N-tert-butylacetamide
CID 81492142

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[4-(6-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]acetamide?
The IUPAC name of N-tert-butyl-2-[4-(6-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]acetamide (CID 172904884) is N-tert-butyl-2-[4-(6-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]acetamide.
What is the SMILES notation for N-tert-butyl-2-[4-(6-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]acetamide?
The canonical SMILES for N-tert-butyl-2-[4-(6-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]acetamide is CC1CN(CC(=O)NC(C)(C)C)CCN1c1cccc(F)n1.
What is the InChIKey of N-tert-butyl-2-[4-(6-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]acetamide?
The InChIKey is QICSLQYQAQSFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN4O/c1-12-10-20(11-15(22)19-16(2,3)4)8-9-21(12)14-7-5-6-13(17)18-14/h5-7,12H,8-11H2,1-4H3,(H,19,22).
What are the key properties of N-tert-butyl-2-[4-(6-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]acetamide?
N-tert-butyl-2-[4-(6-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]acetamide has a molecular weight of 308.40 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[4-(6-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]acetamide is sourced from PubChem (CID 172904884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).