N'-(cycloheptylmethyl)-4-(2-cyclopentyl-2-hydroxy-2-phenylacetyl)piperazine-1-carboximidamide

C26H40N4O2 — CID 25221415

IUPACN'-(cycloheptylmethyl)-4-(2-cyclopentyl-2-hydroxy-2-phenylacetyl)piperazine-1-carboximidamide
SMILESN/C(=N\CC1CCCCCC1)N1CCN(C(=O)C(O)(c2ccccc2)C2CCCC2)CC1
InChIInChI=1S/C26H40N4O2/c27-25(28-20-21-10-4-1-2-5-11-21)30-18-16-29(17-19-30)24(31)26(32,23-14-8-9-15-23)22-12-6-3-7-13-22/h3,6-7,12-13,21,23,32H,1-2,4-5,8-11,14-20H2,(H2,27,28)
InChIKeyVBTKPRGXUKAIOB-UHFFFAOYSA-N
MW440.63 g/mol
LogP3.49
Rot. Bonds5

About N'-(cycloheptylmethyl)-4-(2-cyclopentyl-2-hydroxy-2-phenylacetyl)piperazine-1-carboximidamide

N'-(cycloheptylmethyl)-4-(2-cyclopentyl-2-hydroxy-2-phenylacetyl)piperazine-1-carboximidamide (PubChem CID 25221415) has the molecular formula C26H40N4O2 and a molecular weight of 440.63 g/mol. Its IUPAC name is N'-(cycloheptylmethyl)-4-(2-cyclopentyl-2-hydroxy-2-phenylacetyl)piperazine-1-carboximidamide.

Molecular Properties

Compound NameN'-(cycloheptylmethyl)-4-(2-cyclopentyl-2-hydroxy-2-phenylacetyl)piperazine-1-carboximidamide
PubChem CID25221415
Molecular FormulaC26H40N4O2
Molecular Weight440.63 g/mol
Exact Mass440.32
IUPAC NameN'-(cycloheptylmethyl)-4-(2-cyclopentyl-2-hydroxy-2-phenylacetyl)piperazine-1-carboximidamide
SMILESN/C(=N\CC1CCCCCC1)N1CCN(C(=O)C(O)(c2ccccc2)C2CCCC2)CC1
InChIInChI=1S/C26H40N4O2/c27-25(28-20-21-10-4-1-2-5-11-21)30-18-16-29(17-19-30)24(31)26(32,23-14-8-9-15-23)22-12-6-3-7-13-22/h3,6-7,12-13,21,23,32H,1-2,4-5,8-11,14-20H2,(H2,27,28)
InChIKeyVBTKPRGXUKAIOB-UHFFFAOYSA-N
XLogP3.49
TPSA82.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.63
LogP ≤ 53.49
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

4-[[[amino-[4-[(2R)-2-cyclopentyl-2-hydroxy-2-phenylacetyl]piperazin-1-yl]methylidene]amino]methyl]benzamide
CID 67242446
4-[(2R)-2-cyclopentyl-2-hydroxy-2-phenylacetyl]-N'-(furan-3-ylmethyl)piperazine-1-carboximidamide
CID 67242978
4-[(2R)-2-cyclopentyl-2-hydroxy-2-phenylacetyl]-N'-[(3-fluorophenyl)methyl]piperazine-1-carboximidamide
CID 67243226
4-(2-cyclopentyl-2-hydroxy-2-phenylacetyl)-N'-[(3,4-difluorophenyl)methyl]piperazine-1-carboximidamide
CID 25221075
4-(2-cyclopentyl-2-hydroxy-2-phenylacetyl)-N'-(4-fluorophenyl)piperazine-1-carboximidamide
CID 77253443
methyl 4-[[[amino-[4-[(2R)-2-cyclopentyl-2-hydroxy-2-phenylacetyl]piperazin-1-yl]methylidene]amino]methyl]benzoate
CID 67243984
4-(2-cyclopentyl-2-hydroxy-2-phenylacetyl)-N'-[[4-(trifluoromethoxy)phenyl]methyl]piperazine-1-carboximidamide
CID 25221644
N'-(3-chlorophenyl)-4-[(2R)-2-cyclopentyl-2-hydroxy-2-phenylacetyl]piperazine-1-carboximidamide
CID 67244482
4-[(2R)-2-cyclopentyl-2-hydroxy-2-phenylacetyl]-N'-(4-methoxyphenyl)piperazine-1-carboximidamide
CID 67243344
2-cyclopentyl-2-hydroxy-2-phenyl-1-[4-(3-phenylpropyl)piperazin-1-yl]ethanone
CID 122664443
1-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-2-cyclopentyl-2-hydroxy-2-phenylethanone
CID 11652351
[1-[N'-[(4-hydroxyphenyl)methyl]carbamimidoyl]piperidin-4-yl] (2R)-2-cyclopentyl-2-hydroxy-2-phenylacetate
CID 25222214

Frequently Asked Questions

What is the IUPAC name of N'-(cycloheptylmethyl)-4-(2-cyclopentyl-2-hydroxy-2-phenylacetyl)piperazine-1-carboximidamide?
The IUPAC name of N'-(cycloheptylmethyl)-4-(2-cyclopentyl-2-hydroxy-2-phenylacetyl)piperazine-1-carboximidamide (CID 25221415) is N'-(cycloheptylmethyl)-4-(2-cyclopentyl-2-hydroxy-2-phenylacetyl)piperazine-1-carboximidamide.
What is the SMILES notation for N'-(cycloheptylmethyl)-4-(2-cyclopentyl-2-hydroxy-2-phenylacetyl)piperazine-1-carboximidamide?
The canonical SMILES for N'-(cycloheptylmethyl)-4-(2-cyclopentyl-2-hydroxy-2-phenylacetyl)piperazine-1-carboximidamide is N/C(=N\CC1CCCCCC1)N1CCN(C(=O)C(O)(c2ccccc2)C2CCCC2)CC1.
What is the InChIKey of N'-(cycloheptylmethyl)-4-(2-cyclopentyl-2-hydroxy-2-phenylacetyl)piperazine-1-carboximidamide?
The InChIKey is VBTKPRGXUKAIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40N4O2/c27-25(28-20-21-10-4-1-2-5-11-21)30-18-16-29(17-19-30)24(31)26(32,23-14-8-9-15-23)22-12-6-3-7-13-22/h3,6-7,12-13,21,23,32H,1-2,4-5,8-11,14-20H2,(H2,27,28).
What are the key properties of N'-(cycloheptylmethyl)-4-(2-cyclopentyl-2-hydroxy-2-phenylacetyl)piperazine-1-carboximidamide?
N'-(cycloheptylmethyl)-4-(2-cyclopentyl-2-hydroxy-2-phenylacetyl)piperazine-1-carboximidamide has a molecular weight of 440.63 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cycloheptylmethyl)-4-(2-cyclopentyl-2-hydroxy-2-phenylacetyl)piperazine-1-carboximidamide is sourced from PubChem (CID 25221415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).