4-phenyl-1-(3-phenylpropanoyl)-N'-(3-phenylpropoxy)piperidine-4-carboximidamide

C30H35N3O2 — CID 142821488

IUPAC4-phenyl-1-(3-phenylpropanoyl)-N'-(3-phenylpropoxy)piperidine-4-carboximidamide
SMILESN/C(=N\OCCCc1ccccc1)C1(c2ccccc2)CCN(C(=O)CCc2ccccc2)CC1
InChIInChI=1S/C30H35N3O2/c31-29(32-35-24-10-15-25-11-4-1-5-12-25)30(27-16-8-3-9-17-27)20-22-33(23-21-30)28(34)19-18-26-13-6-2-7-14-26/h1-9,11-14,16-17H,10,15,18-24H2,(H2,31,32)
InChIKeyIGPOHEWXYQKKPO-UHFFFAOYSA-N
MW469.63 g/mol
LogP5.10
Rot. Bonds10

About 4-phenyl-1-(3-phenylpropanoyl)-N'-(3-phenylpropoxy)piperidine-4-carboximidamide

4-phenyl-1-(3-phenylpropanoyl)-N'-(3-phenylpropoxy)piperidine-4-carboximidamide (PubChem CID 142821488) has the molecular formula C30H35N3O2 and a molecular weight of 469.63 g/mol. Its IUPAC name is 4-phenyl-1-(3-phenylpropanoyl)-N'-(3-phenylpropoxy)piperidine-4-carboximidamide.

Molecular Properties

Compound Name4-phenyl-1-(3-phenylpropanoyl)-N'-(3-phenylpropoxy)piperidine-4-carboximidamide
PubChem CID142821488
Molecular FormulaC30H35N3O2
Molecular Weight469.63 g/mol
Exact Mass469.27
IUPAC Name4-phenyl-1-(3-phenylpropanoyl)-N'-(3-phenylpropoxy)piperidine-4-carboximidamide
SMILESN/C(=N\OCCCc1ccccc1)C1(c2ccccc2)CCN(C(=O)CCc2ccccc2)CC1
InChIInChI=1S/C30H35N3O2/c31-29(32-35-24-10-15-25-11-4-1-5-12-25)30(27-16-8-3-9-17-27)20-22-33(23-21-30)28(34)19-18-26-13-6-2-7-14-26/h1-9,11-14,16-17H,10,15,18-24H2,(H2,31,32)
InChIKeyIGPOHEWXYQKKPO-UHFFFAOYSA-N
XLogP5.10
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.63
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-phenyl-1-[2-(2-phenylethoxy)acetyl]piperidine-4-carboxylic acid
CID 119168410
4-(3-phenylpropanoyl)piperazine-1-carboxamide
CID 57085481
1-[4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-4-phenylpiperidin-1-yl]-3-phenylpropan-1-one
CID 23600348
3-phenyl-1-[4-phenyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 23600523
N-(2-morpholin-4-ylethyl)-4-phenyl-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 23600948
benzyl 4-carbamoyl-4-phenylpiperidine-1-carboxylate
CID 118012720
[3-amino-3-(hydroxymethyl)pyrrolidin-1-yl]-[4-[(Z)-N-(3-phenylpropoxy)-C-(trifluoromethyl)carbonimidoyl]phenyl]methanone
CID 137480207
[3-amino-3-(hydroxymethyl)pyrrolidin-1-yl]-[4-[(E)-C-methyl-N-(3-phenylpropoxy)carbonimidoyl]phenyl]methanone
CID 137496633
1-butanoyl-4-phenylpiperidine-4-carboxylic acid
CID 22240994
11-phenyl-1-pyrrolidin-1-ylundecan-1-one
CID 10805309
1-(3-cyclopentylpropanoyl)-4-phenyl-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 23600335
4-phenyl-1-(3-pyridin-2-ylpropanoyl)piperidine-4-carboxylic acid
CID 120613659

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1-(3-phenylpropanoyl)-N'-(3-phenylpropoxy)piperidine-4-carboximidamide?
The IUPAC name of 4-phenyl-1-(3-phenylpropanoyl)-N'-(3-phenylpropoxy)piperidine-4-carboximidamide (CID 142821488) is 4-phenyl-1-(3-phenylpropanoyl)-N'-(3-phenylpropoxy)piperidine-4-carboximidamide.
What is the SMILES notation for 4-phenyl-1-(3-phenylpropanoyl)-N'-(3-phenylpropoxy)piperidine-4-carboximidamide?
The canonical SMILES for 4-phenyl-1-(3-phenylpropanoyl)-N'-(3-phenylpropoxy)piperidine-4-carboximidamide is N/C(=N\OCCCc1ccccc1)C1(c2ccccc2)CCN(C(=O)CCc2ccccc2)CC1.
What is the InChIKey of 4-phenyl-1-(3-phenylpropanoyl)-N'-(3-phenylpropoxy)piperidine-4-carboximidamide?
The InChIKey is IGPOHEWXYQKKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N3O2/c31-29(32-35-24-10-15-25-11-4-1-5-12-25)30(27-16-8-3-9-17-27)20-22-33(23-21-30)28(34)19-18-26-13-6-2-7-14-26/h1-9,11-14,16-17H,10,15,18-24H2,(H2,31,32).
What are the key properties of 4-phenyl-1-(3-phenylpropanoyl)-N'-(3-phenylpropoxy)piperidine-4-carboximidamide?
4-phenyl-1-(3-phenylpropanoyl)-N'-(3-phenylpropoxy)piperidine-4-carboximidamide has a molecular weight of 469.63 g/mol, XLogP of 5.10, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1-(3-phenylpropanoyl)-N'-(3-phenylpropoxy)piperidine-4-carboximidamide is sourced from PubChem (CID 142821488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).