2-[[(cyclopentylamino)-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]-N,N-dimethylacetamide;hydroiodide

C20H31FIN5O — CID 110037414

IUPAC2-[[(cyclopentylamino)-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
SMILESCN(C)C(=O)C/N=C(/NC1CCCC1)N1CCN(c2ccc(F)cc2)CC1.I
InChIInChI=1S/C20H30FN5O.HI/c1-24(2)19(27)15-22-20(23-17-5-3-4-6-17)26-13-11-25(12-14-26)18-9-7-16(21)8-10-18;/h7-10,17H,3-6,11-15H2,1-2H3,(H,22,23);1H
InChIKeyLDSAZSYZWTXKTM-UHFFFAOYSA-N
MW503.40 g/mol
LogP2.54
Rot. Bonds4

About 2-[[(cyclopentylamino)-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]-N,N-dimethylacetamide;hydroiodide

2-[[(cyclopentylamino)-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]-N,N-dimethylacetamide;hydroiodide (PubChem CID 110037414) has the molecular formula C20H31FIN5O and a molecular weight of 503.40 g/mol. Its IUPAC name is 2-[[(cyclopentylamino)-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]-N,N-dimethylacetamide;hydroiodide.

Molecular Properties

Compound Name2-[[(cyclopentylamino)-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
PubChem CID110037414
Molecular FormulaC20H31FIN5O
Molecular Weight503.40 g/mol
Exact Mass503.16
IUPAC Name2-[[(cyclopentylamino)-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
SMILESCN(C)C(=O)C/N=C(/NC1CCCC1)N1CCN(c2ccc(F)cc2)CC1.I
InChIInChI=1S/C20H30FN5O.HI/c1-24(2)19(27)15-22-20(23-17-5-3-4-6-17)26-13-11-25(12-14-26)18-9-7-16(21)8-10-18;/h7-10,17H,3-6,11-15H2,1-2H3,(H,22,23);1H
InChIKeyLDSAZSYZWTXKTM-UHFFFAOYSA-N
XLogP2.54
TPSA51.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.40
LogP ≤ 52.54
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[[(cyclopentylamino)-[4-(2-methoxyphenyl)piperazin-1-yl]methylidene]amino]-N,N-dimethylacetamide
CID 110037277
2-[[(cyclopropylamino)-(4-pyridin-2-ylpiperazin-1-yl)methylidene]amino]-N,N-dimethylacetamide
CID 119130990
2-[[[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-(cyclopentylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110038538
N-cyclopropyl-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 47127339
3-[[ethylamino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]-N,N-dimethylpropanamide
CID 111165103
2-[[[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-(cyclopentylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110042517
2-[[(cyclopentylamino)-(3-cyclopropylpyrrolidin-1-yl)methylidene]amino]-N,N-dimethylacetamide
CID 86791763
2-[[ethylamino-(4-phenylpiperazin-1-yl)methylidene]amino]-N,N-dimethylacetamide
CID 110961763
3-[[amino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]-N-cyclohexylpropanamide
CID 111075503
2-[[(cyclopentylamino)-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111841665
2-[[(cyclopentylamino)-[4-(3-methoxypropoxy)piperidin-1-yl]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110043976
2-[[(cyclopentylamino)-[4-[2-(2-methoxyethylamino)-2-oxoethyl]piperazin-1-yl]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110038408

Frequently Asked Questions

What is the IUPAC name of 2-[[(cyclopentylamino)-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
The IUPAC name of 2-[[(cyclopentylamino)-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]-N,N-dimethylacetamide;hydroiodide (CID 110037414) is 2-[[(cyclopentylamino)-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]-N,N-dimethylacetamide;hydroiodide.
What is the SMILES notation for 2-[[(cyclopentylamino)-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
The canonical SMILES for 2-[[(cyclopentylamino)-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]-N,N-dimethylacetamide;hydroiodide is CN(C)C(=O)C/N=C(/NC1CCCC1)N1CCN(c2ccc(F)cc2)CC1.I.
What is the InChIKey of 2-[[(cyclopentylamino)-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
The InChIKey is LDSAZSYZWTXKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30FN5O.HI/c1-24(2)19(27)15-22-20(23-17-5-3-4-6-17)26-13-11-25(12-14-26)18-9-7-16(21)8-10-18;/h7-10,17H,3-6,11-15H2,1-2H3,(H,22,23);1H.
What are the key properties of 2-[[(cyclopentylamino)-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
2-[[(cyclopentylamino)-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]-N,N-dimethylacetamide;hydroiodide has a molecular weight of 503.40 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(cyclopentylamino)-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]-N,N-dimethylacetamide;hydroiodide is sourced from PubChem (CID 110037414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).