1-[[[amino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide

C20H30FN5O — CID 111812052

IUPAC1-[[[amino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
SMILESCN(C)C(=O)C1(C/N=C(\N)N2CCN(c3ccc(F)cc3)CC2)CCCC1
InChIInChI=1S/C20H30FN5O/c1-24(2)18(27)20(9-3-4-10-20)15-23-19(22)26-13-11-25(12-14-26)17-7-5-16(21)6-8-17/h5-8H,3-4,9-15H2,1-2H3,(H2,22,23)
InChIKeyLDQYZPKYPSFDFE-UHFFFAOYSA-N
MW375.49 g/mol
LogP1.91
Rot. Bonds4

About 1-[[[amino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide

1-[[[amino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide (PubChem CID 111812052) has the molecular formula C20H30FN5O and a molecular weight of 375.49 g/mol. Its IUPAC name is 1-[[[amino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-[[[amino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
PubChem CID111812052
Molecular FormulaC20H30FN5O
Molecular Weight375.49 g/mol
Exact Mass375.24
IUPAC Name1-[[[amino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
SMILESCN(C)C(=O)C1(C/N=C(\N)N2CCN(c3ccc(F)cc3)CC2)CCCC1
InChIInChI=1S/C20H30FN5O/c1-24(2)18(27)20(9-3-4-10-20)15-23-19(22)26-13-11-25(12-14-26)17-7-5-16(21)6-8-17/h5-8H,3-4,9-15H2,1-2H3,(H2,22,23)
InChIKeyLDQYZPKYPSFDFE-UHFFFAOYSA-N
XLogP1.91
TPSA65.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-[[amino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]-N,N-dimethylpropanamide
CID 111068257
4-(4-fluorophenyl)-N'-[(1-methylsulfinylcyclobutyl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 120672092
4-(4-fluorophenyl)-N'-[[1-(trifluoromethyl)cyclopropyl]methyl]piperazine-1-carboximidamide
CID 120973301
1-[[[amino-(4-methylpiperidin-1-yl)methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
CID 111123564
4-(4-fluorophenyl)-N'-[[1-(methoxymethyl)cyclobutyl]methyl]piperazine-1-carboximidamide
CID 120762513
4-(4-fluorophenyl)-N'-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboximidamide
CID 111040310
4-(4-fluorophenyl)-N'-[(4-hydroxyoxan-4-yl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111089788
2-[[amino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]-N-propan-2-ylacetamide
CID 119117612
2-[[amino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide
CID 111819681
N'-(2-chloroprop-2-enyl)-4-(4-fluorophenyl)piperazine-1-carboximidamide;hydroiodide
CID 119147921
N'-[[4-(dimethylamino)phenyl]methyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide
CID 111033194
4-(4-fluorophenyl)-N'-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 111088954

Frequently Asked Questions

What is the IUPAC name of 1-[[[amino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide?
The IUPAC name of 1-[[[amino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide (CID 111812052) is 1-[[[amino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide.
What is the SMILES notation for 1-[[[amino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide?
The canonical SMILES for 1-[[[amino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide is CN(C)C(=O)C1(C/N=C(\N)N2CCN(c3ccc(F)cc3)CC2)CCCC1.
What is the InChIKey of 1-[[[amino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide?
The InChIKey is LDQYZPKYPSFDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30FN5O/c1-24(2)18(27)20(9-3-4-10-20)15-23-19(22)26-13-11-25(12-14-26)17-7-5-16(21)6-8-17/h5-8H,3-4,9-15H2,1-2H3,(H2,22,23).
What are the key properties of 1-[[[amino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide?
1-[[[amino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide has a molecular weight of 375.49 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[amino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide is sourced from PubChem (CID 111812052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).