4-[(2R)-2-cyclopentyl-2-hydroxy-2-phenylacetyl]-N'-(furan-3-ylmethyl)piperazine-1-carboximidamide

C23H30N4O3 — CID 67242978

IUPAC4-[(2R)-2-cyclopentyl-2-hydroxy-2-phenylacetyl]-N'-(furan-3-ylmethyl)piperazine-1-carboximidamide
SMILESN/C(=N\Cc1ccoc1)N1CCN(C(=O)[C@](O)(c2ccccc2)C2CCCC2)CC1
InChIInChI=1S/C23H30N4O3/c24-22(25-16-18-10-15-30-17-18)27-13-11-26(12-14-27)21(28)23(29,20-8-4-5-9-20)19-6-2-1-3-7-19/h1-3,6-7,10,15,17,20,29H,4-5,8-9,11-14,16H2,(H2,24,25)/t23-/m0/s1
InChIKeyIMNMUXLICYSUPH-QHCPKHFHSA-N
MW410.52 g/mol
LogP2.32
Rot. Bonds5

About 4-[(2R)-2-cyclopentyl-2-hydroxy-2-phenylacetyl]-N'-(furan-3-ylmethyl)piperazine-1-carboximidamide

4-[(2R)-2-cyclopentyl-2-hydroxy-2-phenylacetyl]-N'-(furan-3-ylmethyl)piperazine-1-carboximidamide (PubChem CID 67242978) has the molecular formula C23H30N4O3 and a molecular weight of 410.52 g/mol. Its IUPAC name is 4-[(2R)-2-cyclopentyl-2-hydroxy-2-phenylacetyl]-N'-(furan-3-ylmethyl)piperazine-1-carboximidamide.

Molecular Properties

Compound Name4-[(2R)-2-cyclopentyl-2-hydroxy-2-phenylacetyl]-N'-(furan-3-ylmethyl)piperazine-1-carboximidamide
PubChem CID67242978
Molecular FormulaC23H30N4O3
Molecular Weight410.52 g/mol
Exact Mass410.23
IUPAC Name4-[(2R)-2-cyclopentyl-2-hydroxy-2-phenylacetyl]-N'-(furan-3-ylmethyl)piperazine-1-carboximidamide
SMILESN/C(=N\Cc1ccoc1)N1CCN(C(=O)[C@](O)(c2ccccc2)C2CCCC2)CC1
InChIInChI=1S/C23H30N4O3/c24-22(25-16-18-10-15-30-17-18)27-13-11-26(12-14-27)21(28)23(29,20-8-4-5-9-20)19-6-2-1-3-7-19/h1-3,6-7,10,15,17,20,29H,4-5,8-9,11-14,16H2,(H2,24,25)/t23-/m0/s1
InChIKeyIMNMUXLICYSUPH-QHCPKHFHSA-N
XLogP2.32
TPSA95.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'-[(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-(trifluoromethoxy)phenyl]methyl]piperazine-1-carboximidamide
CID 25221644
methyl 4-[[[amino-[4-[(2R)-2-cyclopentyl-2-hydroxy-2-phenylacetyl]piperazin-1-yl]methylidene]amino]methyl]benzoate
CID 67243984
N'-(cycloheptylmethyl)-4-(2-cyclopentyl-2-hydroxy-2-phenylacetyl)piperazine-1-carboximidamide
CID 25221415
4-(2-cyclopentyl-2-hydroxy-2-phenylacetyl)-N'-(4-fluorophenyl)piperazine-1-carboximidamide
CID 77253443
[1-[N'-[(4-hydroxyphenyl)methyl]carbamimidoyl]piperidin-4-yl] (2R)-2-cyclopentyl-2-hydroxy-2-phenylacetate
CID 25222214
4-[(2R)-2-cyclopentyl-2-hydroxy-2-phenylacetyl]-N'-(furan-2-ylmethyl)piperidine-1-carboximidamide
CID 56597959
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
[1-[N'-[(3,5-difluorophenyl)methyl]carbamimidoyl]pyrrolidin-3-yl] 2-cyclopentyl-2-hydroxy-2-phenylacetate
CID 74433292

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-cyclopentyl-2-hydroxy-2-phenylacetyl]-N'-(furan-3-ylmethyl)piperazine-1-carboximidamide?
The IUPAC name of 4-[(2R)-2-cyclopentyl-2-hydroxy-2-phenylacetyl]-N'-(furan-3-ylmethyl)piperazine-1-carboximidamide (CID 67242978) is 4-[(2R)-2-cyclopentyl-2-hydroxy-2-phenylacetyl]-N'-(furan-3-ylmethyl)piperazine-1-carboximidamide.
What is the SMILES notation for 4-[(2R)-2-cyclopentyl-2-hydroxy-2-phenylacetyl]-N'-(furan-3-ylmethyl)piperazine-1-carboximidamide?
The canonical SMILES for 4-[(2R)-2-cyclopentyl-2-hydroxy-2-phenylacetyl]-N'-(furan-3-ylmethyl)piperazine-1-carboximidamide is N/C(=N\Cc1ccoc1)N1CCN(C(=O)[C@](O)(c2ccccc2)C2CCCC2)CC1.
What is the InChIKey of 4-[(2R)-2-cyclopentyl-2-hydroxy-2-phenylacetyl]-N'-(furan-3-ylmethyl)piperazine-1-carboximidamide?
The InChIKey is IMNMUXLICYSUPH-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H30N4O3/c24-22(25-16-18-10-15-30-17-18)27-13-11-26(12-14-27)21(28)23(29,20-8-4-5-9-20)19-6-2-1-3-7-19/h1-3,6-7,10,15,17,20,29H,4-5,8-9,11-14,16H2,(H2,24,25)/t23-/m0/s1.
What are the key properties of 4-[(2R)-2-cyclopentyl-2-hydroxy-2-phenylacetyl]-N'-(furan-3-ylmethyl)piperazine-1-carboximidamide?
4-[(2R)-2-cyclopentyl-2-hydroxy-2-phenylacetyl]-N'-(furan-3-ylmethyl)piperazine-1-carboximidamide has a molecular weight of 410.52 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2-cyclopentyl-2-hydroxy-2-phenylacetyl]-N'-(furan-3-ylmethyl)piperazine-1-carboximidamide is sourced from PubChem (CID 67242978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).