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

C24H31N3O3 — CID 56597959

IUPAC4-[(2R)-2-cyclopentyl-2-hydroxy-2-phenylacetyl]-N'-(furan-2-ylmethyl)piperidine-1-carboximidamide
SMILESN/C(=N\Cc1ccco1)N1CCC(C(=O)[C@](O)(c2ccccc2)C2CCCC2)CC1
InChIInChI=1S/C24H31N3O3/c25-23(26-17-21-11-6-16-30-21)27-14-12-18(13-15-27)22(28)24(29,20-9-4-5-10-20)19-7-2-1-3-8-19/h1-3,6-8,11,16,18,20,29H,4-5,9-10,12-15,17H2,(H2,25,26)/t24-/m0/s1
InChIKeyIMTSZLULZGZSQX-DEOSSOPVSA-N
MW409.53 g/mol
LogP3.45
Rot. Bonds6

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

4-[(2R)-2-cyclopentyl-2-hydroxy-2-phenylacetyl]-N'-(furan-2-ylmethyl)piperidine-1-carboximidamide (PubChem CID 56597959) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is 4-[(2R)-2-cyclopentyl-2-hydroxy-2-phenylacetyl]-N'-(furan-2-ylmethyl)piperidine-1-carboximidamide.

Molecular Properties

Compound Name4-[(2R)-2-cyclopentyl-2-hydroxy-2-phenylacetyl]-N'-(furan-2-ylmethyl)piperidine-1-carboximidamide
PubChem CID56597959
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC Name4-[(2R)-2-cyclopentyl-2-hydroxy-2-phenylacetyl]-N'-(furan-2-ylmethyl)piperidine-1-carboximidamide
SMILESN/C(=N\Cc1ccco1)N1CCC(C(=O)[C@](O)(c2ccccc2)C2CCCC2)CC1
InChIInChI=1S/C24H31N3O3/c25-23(26-17-21-11-6-16-30-21)27-14-12-18(13-15-27)22(28)24(29,20-9-4-5-10-20)19-7-2-1-3-8-19/h1-3,6-8,11,16,18,20,29H,4-5,9-10,12-15,17H2,(H2,25,26)/t24-/m0/s1
InChIKeyIMTSZLULZGZSQX-DEOSSOPVSA-N
XLogP3.45
TPSA92.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 53.45
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-[(2R)-2-cyclopentyl-2-hydroxy-2-phenylacetyl]-N'-(furan-3-ylmethyl)piperazine-1-carboximidamide
CID 67242978
4-[[[amino-[4-[(2R)-2-cyclopentyl-2-hydroxy-2-phenylacetyl]piperazin-1-yl]methylidene]amino]methyl]benzamide
CID 67242446
[1-[N'-[(4-hydroxyphenyl)methyl]carbamimidoyl]piperidin-4-yl] (2R)-2-cyclopentyl-2-hydroxy-2-phenylacetate
CID 25222214
N'-(cycloheptylmethyl)-4-(2-cyclopentyl-2-hydroxy-2-phenylacetyl)piperazine-1-carboximidamide
CID 25221415
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'-(furan-2-ylmethyl)-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111022379
[1-[N'-[(3,5-difluorophenyl)methyl]carbamimidoyl]pyrrolidin-3-yl] 2-cyclopentyl-2-hydroxy-2-phenylacetate
CID 74433292
[1-[N'-(pyridin-2-ylmethyl)carbamimidoyl]pyrrolidin-3-yl] 2-cyclopentyl-2-hydroxy-2-phenylacetate
CID 74433275
4-(2-cyclopentyl-2-hydroxy-2-phenylacetyl)-N'-(4-fluorophenyl)piperazine-1-carboximidamide
CID 77253443

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-cyclopentyl-2-hydroxy-2-phenylacetyl]-N'-(furan-2-ylmethyl)piperidine-1-carboximidamide?
The IUPAC name of 4-[(2R)-2-cyclopentyl-2-hydroxy-2-phenylacetyl]-N'-(furan-2-ylmethyl)piperidine-1-carboximidamide (CID 56597959) is 4-[(2R)-2-cyclopentyl-2-hydroxy-2-phenylacetyl]-N'-(furan-2-ylmethyl)piperidine-1-carboximidamide.
What is the SMILES notation for 4-[(2R)-2-cyclopentyl-2-hydroxy-2-phenylacetyl]-N'-(furan-2-ylmethyl)piperidine-1-carboximidamide?
The canonical SMILES for 4-[(2R)-2-cyclopentyl-2-hydroxy-2-phenylacetyl]-N'-(furan-2-ylmethyl)piperidine-1-carboximidamide is N/C(=N\Cc1ccco1)N1CCC(C(=O)[C@](O)(c2ccccc2)C2CCCC2)CC1.
What is the InChIKey of 4-[(2R)-2-cyclopentyl-2-hydroxy-2-phenylacetyl]-N'-(furan-2-ylmethyl)piperidine-1-carboximidamide?
The InChIKey is IMTSZLULZGZSQX-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H31N3O3/c25-23(26-17-21-11-6-16-30-21)27-14-12-18(13-15-27)22(28)24(29,20-9-4-5-10-20)19-7-2-1-3-8-19/h1-3,6-8,11,16,18,20,29H,4-5,9-10,12-15,17H2,(H2,25,26)/t24-/m0/s1.
What are the key properties of 4-[(2R)-2-cyclopentyl-2-hydroxy-2-phenylacetyl]-N'-(furan-2-ylmethyl)piperidine-1-carboximidamide?
4-[(2R)-2-cyclopentyl-2-hydroxy-2-phenylacetyl]-N'-(furan-2-ylmethyl)piperidine-1-carboximidamide has a molecular weight of 409.53 g/mol, XLogP of 3.45, 6 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-2-ylmethyl)piperidine-1-carboximidamide is sourced from PubChem (CID 56597959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).