N-[2-[4-[[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]methyl]phenyl]propan-2-yl]acetamide

C21H27FN4O — CID 11501572

IUPACN-[2-[4-[[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]methyl]phenyl]propan-2-yl]acetamide
SMILESCC(=O)NC(C)(C)c1ccc(CN2CCN(c3cccc(F)n3)CC2)cc1
InChIInChI=1S/C21H27FN4O/c1-16(27)24-21(2,3)18-9-7-17(8-10-18)15-25-11-13-26(14-12-25)20-6-4-5-19(22)23-20/h4-10H,11-15H2,1-3H3,(H,24,27)
InChIKeyPXMGICCWARXCEM-UHFFFAOYSA-N
MW370.47 g/mol
LogP2.91
Rot. Bonds5

About N-[2-[4-[[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]methyl]phenyl]propan-2-yl]acetamide

N-[2-[4-[[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]methyl]phenyl]propan-2-yl]acetamide (PubChem CID 11501572) has the molecular formula C21H27FN4O and a molecular weight of 370.47 g/mol. Its IUPAC name is N-[2-[4-[[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]methyl]phenyl]propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[2-[4-[[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]methyl]phenyl]propan-2-yl]acetamide
PubChem CID11501572
Molecular FormulaC21H27FN4O
Molecular Weight370.47 g/mol
Exact Mass370.22
IUPAC NameN-[2-[4-[[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]methyl]phenyl]propan-2-yl]acetamide
SMILESCC(=O)NC(C)(C)c1ccc(CN2CCN(c3cccc(F)n3)CC2)cc1
InChIInChI=1S/C21H27FN4O/c1-16(27)24-21(2,3)18-9-7-17(8-10-18)15-25-11-13-26(14-12-25)20-6-4-5-19(22)23-20/h4-10H,11-15H2,1-3H3,(H,24,27)
InChIKeyPXMGICCWARXCEM-UHFFFAOYSA-N
XLogP2.91
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 52.91
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

N-[2-[4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]phenyl]propan-2-yl]acetamide
CID 11545168
N-[(1S)-1-[4-[[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]methyl]phenyl]ethyl]acetamide
CID 15549973
1-benzyl-4-(6-fluoro-2-pyridinyl)-1,4-diazepane
CID 130624204
1-ethyl-4-(6-fluoro-2-pyridinyl)piperazine
CID 61230129
1-[4-(6-fluoro-2-pyridinyl)-1,4-diazepan-1-yl]ethanone
CID 55002941
N-[4-[[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]methyl]phenyl]acetamide
CID 3793854
1-[4-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]phenyl]ethanone
CID 171335167
2-(4-fluorophenyl)-1-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]ethanone
CID 55987649
N-(3,5-dimethylphenyl)-2-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]acetamide
CID 171691064
2-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]-N,N-dimethylethanamine
CID 55128004
3-[[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]methyl]-2,5-dihydro-1H-1,2,4-triazin-6-one
CID 110187474
1-pyridin-2-yl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine
CID 763101

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]methyl]phenyl]propan-2-yl]acetamide?
The IUPAC name of N-[2-[4-[[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]methyl]phenyl]propan-2-yl]acetamide (CID 11501572) is N-[2-[4-[[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]methyl]phenyl]propan-2-yl]acetamide.
What is the SMILES notation for N-[2-[4-[[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]methyl]phenyl]propan-2-yl]acetamide?
The canonical SMILES for N-[2-[4-[[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]methyl]phenyl]propan-2-yl]acetamide is CC(=O)NC(C)(C)c1ccc(CN2CCN(c3cccc(F)n3)CC2)cc1.
What is the InChIKey of N-[2-[4-[[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]methyl]phenyl]propan-2-yl]acetamide?
The InChIKey is PXMGICCWARXCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN4O/c1-16(27)24-21(2,3)18-9-7-17(8-10-18)15-25-11-13-26(14-12-25)20-6-4-5-19(22)23-20/h4-10H,11-15H2,1-3H3,(H,24,27).
What are the key properties of N-[2-[4-[[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]methyl]phenyl]propan-2-yl]acetamide?
N-[2-[4-[[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]methyl]phenyl]propan-2-yl]acetamide has a molecular weight of 370.47 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]methyl]phenyl]propan-2-yl]acetamide is sourced from PubChem (CID 11501572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).