3-[[amino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]-N-cyclohexylpropanamide

C20H30FN5O — CID 111075503

IUPAC3-[[amino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]-N-cyclohexylpropanamide
SMILESN/C(=N\CCC(=O)NC1CCCCC1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H30FN5O/c21-16-6-8-18(9-7-16)25-12-14-26(15-13-25)20(22)23-11-10-19(27)24-17-4-2-1-3-5-17/h6-9,17H,1-5,10-15H2,(H2,22,23)(H,24,27)
InChIKeyJGJBPZQIHNURAZ-UHFFFAOYSA-N
MW375.49 g/mol
LogP2.10
Rot. Bonds5

About 3-[[amino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]-N-cyclohexylpropanamide

3-[[amino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]-N-cyclohexylpropanamide (PubChem CID 111075503) has the molecular formula C20H30FN5O and a molecular weight of 375.49 g/mol. Its IUPAC name is 3-[[amino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]-N-cyclohexylpropanamide.

Molecular Properties

Compound Name3-[[amino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]-N-cyclohexylpropanamide
PubChem CID111075503
Molecular FormulaC20H30FN5O
Molecular Weight375.49 g/mol
Exact Mass375.24
IUPAC Name3-[[amino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]-N-cyclohexylpropanamide
SMILESN/C(=N\CCC(=O)NC1CCCCC1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H30FN5O/c21-16-6-8-18(9-7-16)25-12-14-26(15-13-25)20(22)23-11-10-19(27)24-17-4-2-1-3-5-17/h6-9,17H,1-5,10-15H2,(H2,22,23)(H,24,27)
InChIKeyJGJBPZQIHNURAZ-UHFFFAOYSA-N
XLogP2.10
TPSA73.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 52.10
H-Bond Donors ≤ 52
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

2-[[amino-[4-(4-chlorophenyl)piperazin-1-yl]methylidene]amino]-N-cyclohexylacetamide;hydroiodide
CID 111090882
N'-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]thiomorpholine-4-carboximidamide
CID 111072399
3-[[amino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]-N,N-dimethylpropanamide
CID 111068257
2-[[amino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]-N-propan-2-ylacetamide
CID 119117612
4-(4-fluorophenyl)-N'-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]piperazine-1-carboximidamide
CID 111092220
propan-2-yl 3-[[amino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]propanoate
CID 111037134
4-(4-fluorophenyl)-N'-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboximidamide
CID 111040310
tert-butyl 3-[[amino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]propanoate;hydroiodide
CID 111804949
methyl 5-[[amino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]pentanoate;hydroiodide
CID 111086172
4-(4-fluorophenyl)-N'-[2-(4-fluorophenyl)ethyl]piperazine-1-carboximidamide
CID 111025571
2-[[amino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]-N-(2,2-difluoroethyl)acetamide
CID 120663332
4-(4-fluorophenyl)-N'-(4-pyrrolidin-1-ylbutyl)piperazine-1-carboximidamide
CID 111059813

Frequently Asked Questions

What is the IUPAC name of 3-[[amino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]-N-cyclohexylpropanamide?
The IUPAC name of 3-[[amino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]-N-cyclohexylpropanamide (CID 111075503) is 3-[[amino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]-N-cyclohexylpropanamide.
What is the SMILES notation for 3-[[amino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]-N-cyclohexylpropanamide?
The canonical SMILES for 3-[[amino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]-N-cyclohexylpropanamide is N/C(=N\CCC(=O)NC1CCCCC1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 3-[[amino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]-N-cyclohexylpropanamide?
The InChIKey is JGJBPZQIHNURAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30FN5O/c21-16-6-8-18(9-7-16)25-12-14-26(15-13-25)20(22)23-11-10-19(27)24-17-4-2-1-3-5-17/h6-9,17H,1-5,10-15H2,(H2,22,23)(H,24,27).
What are the key properties of 3-[[amino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]-N-cyclohexylpropanamide?
3-[[amino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]-N-cyclohexylpropanamide has a molecular weight of 375.49 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[amino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]-N-cyclohexylpropanamide is sourced from PubChem (CID 111075503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).