N-(3-acetylphenyl)-N'-[4-[(4-aminocyclohexyl)methyl]cyclohexyl]piperidine-1-carboximidamide

C27H42N4O — CID 134121819

IUPACN-(3-acetylphenyl)-N'-[4-[(4-aminocyclohexyl)methyl]cyclohexyl]piperidine-1-carboximidamide
SMILESCC(=O)c1cccc(N/C(=N/C2CCC(CC3CCC(N)CC3)CC2)N2CCCCC2)c1
InChIInChI=1S/C27H42N4O/c1-20(32)23-6-5-7-26(19-23)30-27(31-16-3-2-4-17-31)29-25-14-10-22(11-15-25)18-21-8-12-24(28)13-9-21/h5-7,19,21-22,24-25H,2-4,8-18,28H2,1H3,(H,29,30)
InChIKeyCQTSWIWAQDWMCQ-UHFFFAOYSA-N
MW438.66 g/mol
LogP5.61
Rot. Bonds5

About N-(3-acetylphenyl)-N'-[4-[(4-aminocyclohexyl)methyl]cyclohexyl]piperidine-1-carboximidamide

N-(3-acetylphenyl)-N'-[4-[(4-aminocyclohexyl)methyl]cyclohexyl]piperidine-1-carboximidamide (PubChem CID 134121819) has the molecular formula C27H42N4O and a molecular weight of 438.66 g/mol. Its IUPAC name is N-(3-acetylphenyl)-N'-[4-[(4-aminocyclohexyl)methyl]cyclohexyl]piperidine-1-carboximidamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-N'-[4-[(4-aminocyclohexyl)methyl]cyclohexyl]piperidine-1-carboximidamide
PubChem CID134121819
Molecular FormulaC27H42N4O
Molecular Weight438.66 g/mol
Exact Mass438.34
IUPAC NameN-(3-acetylphenyl)-N'-[4-[(4-aminocyclohexyl)methyl]cyclohexyl]piperidine-1-carboximidamide
SMILESCC(=O)c1cccc(N/C(=N/C2CCC(CC3CCC(N)CC3)CC2)N2CCCCC2)c1
InChIInChI=1S/C27H42N4O/c1-20(32)23-6-5-7-26(19-23)30-27(31-16-3-2-4-17-31)29-25-14-10-22(11-15-25)18-21-8-12-24(28)13-9-21/h5-7,19,21-22,24-25H,2-4,8-18,28H2,1H3,(H,29,30)
InChIKeyCQTSWIWAQDWMCQ-UHFFFAOYSA-N
XLogP5.61
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.66
LogP ≤ 55.61
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'}

Analyze N-(3-acetylphenyl)-N'-[4-[(4-aminocyclohexyl)methyl]cyclohexyl]piperidine-1-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-cyclopropyl-N-phenylpiperidine-1-carboximidamide
CID 111024258
N-(3-acetylphenyl)-3-oxo-3-piperidin-1-ylpropanamide
CID 108942443
N-(3-acetylphenyl)-2-oxo-2-piperidin-1-ylacetamide
CID 2194073
(3R)-1-[(3-acetylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 28512783
N-(3-acetylphenyl)-2-(hydroxymethyl)piperidine-1-carboxamide
CID 61346659
N-(3-acetylphenyl)-2-[(2S)-2-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide
CID 52518463
N-(3-acetylphenyl)-2,2-dimethyl-3-oxo-3-piperidin-1-ylpropanamide
CID 108958859
N-(3-acetylphenyl)-3-(azepane-1-carbonyl)benzamide
CID 109056722
N-(3-acetylphenyl)-2-ethylpyrrolidine-1-carboxamide
CID 61345256
N-(3-acetylphenyl)-2-propylpiperidine-1-carboxamide
CID 83046098
(2R)-N-(3-acetylphenyl)-2-piperidin-1-ylpropanamide
CID 8894791
N-(3-acetylphenyl)-2,3-dimethylpiperidine-1-carboxamide
CID 62124695

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-N'-[4-[(4-aminocyclohexyl)methyl]cyclohexyl]piperidine-1-carboximidamide?
The IUPAC name of N-(3-acetylphenyl)-N'-[4-[(4-aminocyclohexyl)methyl]cyclohexyl]piperidine-1-carboximidamide (CID 134121819) is N-(3-acetylphenyl)-N'-[4-[(4-aminocyclohexyl)methyl]cyclohexyl]piperidine-1-carboximidamide.
What is the SMILES notation for N-(3-acetylphenyl)-N'-[4-[(4-aminocyclohexyl)methyl]cyclohexyl]piperidine-1-carboximidamide?
The canonical SMILES for N-(3-acetylphenyl)-N'-[4-[(4-aminocyclohexyl)methyl]cyclohexyl]piperidine-1-carboximidamide is CC(=O)c1cccc(N/C(=N/C2CCC(CC3CCC(N)CC3)CC2)N2CCCCC2)c1.
What is the InChIKey of N-(3-acetylphenyl)-N'-[4-[(4-aminocyclohexyl)methyl]cyclohexyl]piperidine-1-carboximidamide?
The InChIKey is CQTSWIWAQDWMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H42N4O/c1-20(32)23-6-5-7-26(19-23)30-27(31-16-3-2-4-17-31)29-25-14-10-22(11-15-25)18-21-8-12-24(28)13-9-21/h5-7,19,21-22,24-25H,2-4,8-18,28H2,1H3,(H,29,30).
What are the key properties of N-(3-acetylphenyl)-N'-[4-[(4-aminocyclohexyl)methyl]cyclohexyl]piperidine-1-carboximidamide?
N-(3-acetylphenyl)-N'-[4-[(4-aminocyclohexyl)methyl]cyclohexyl]piperidine-1-carboximidamide has a molecular weight of 438.66 g/mol, XLogP of 5.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-N'-[4-[(4-aminocyclohexyl)methyl]cyclohexyl]piperidine-1-carboximidamide is sourced from PubChem (CID 134121819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).