3-cyclopentyl-1-[4-[1-(3-methoxypropylamino)ethenyl]-4-phenylpiperidin-1-yl]propan-1-one

C25H38N2O2 — CID 89031878

IUPAC3-cyclopentyl-1-[4-[1-(3-methoxypropylamino)ethenyl]-4-phenylpiperidin-1-yl]propan-1-one
SMILESC=C(NCCCOC)C1(c2ccccc2)CCN(C(=O)CCC2CCCC2)CC1
InChIInChI=1S/C25H38N2O2/c1-21(26-17-8-20-29-2)25(23-11-4-3-5-12-23)15-18-27(19-16-25)24(28)14-13-22-9-6-7-10-22/h3-5,11-12,22,26H,1,6-10,13-20H2,2H3
InChIKeyRFYPZGBWPIOATM-UHFFFAOYSA-N
MW398.59 g/mol
LogP4.66
Rot. Bonds10

About 3-cyclopentyl-1-[4-[1-(3-methoxypropylamino)ethenyl]-4-phenylpiperidin-1-yl]propan-1-one

3-cyclopentyl-1-[4-[1-(3-methoxypropylamino)ethenyl]-4-phenylpiperidin-1-yl]propan-1-one (PubChem CID 89031878) has the molecular formula C25H38N2O2 and a molecular weight of 398.59 g/mol. Its IUPAC name is 3-cyclopentyl-1-[4-[1-(3-methoxypropylamino)ethenyl]-4-phenylpiperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-cyclopentyl-1-[4-[1-(3-methoxypropylamino)ethenyl]-4-phenylpiperidin-1-yl]propan-1-one
PubChem CID89031878
Molecular FormulaC25H38N2O2
Molecular Weight398.59 g/mol
Exact Mass398.29
IUPAC Name3-cyclopentyl-1-[4-[1-(3-methoxypropylamino)ethenyl]-4-phenylpiperidin-1-yl]propan-1-one
SMILESC=C(NCCCOC)C1(c2ccccc2)CCN(C(=O)CCC2CCCC2)CC1
InChIInChI=1S/C25H38N2O2/c1-21(26-17-8-20-29-2)25(23-11-4-3-5-12-23)15-18-27(19-16-25)24(28)14-13-22-9-6-7-10-22/h3-5,11-12,22,26H,1,6-10,13-20H2,2H3
InChIKeyRFYPZGBWPIOATM-UHFFFAOYSA-N
XLogP4.66
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.59
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-cyclohexylpropanoyl)-4-phenylpiperidine-4-carboxylic acid
CID 45338210
1-(3-cyclopentylpropanoyl)-4-phenyl-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 23600335
3-cyclohexyl-1-(4-hydroxy-4-phenylpiperidin-1-yl)propan-1-one
CID 110185891
1-acetyl-N-(3-cyclohexyloxypropyl)-4-phenylpiperidine-4-carboxamide
CID 39950504
N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-4-phenylbenzamide
CID 108549480
N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-2-methoxybenzamide
CID 108549239
3-cyclopentyl-1-[2-(2-methoxyethyl)-1,1-dioxospiro[1,2-benzothiazole-3,3'-pyrrolidine]-1'-yl]propan-1-one
CID 131657465
3-methoxy-1-[4-(2-phenoxyethyl)piperidin-1-yl]propan-1-one
CID 53150681
N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-3-methoxypropanamide
CID 108556221
1-[5-oxo-5-(propylamino)pentanoyl]-4-phenylpiperidine-4-carboxylic acid
CID 119168339
N-(3-methoxypropyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 113003301
N-(3-methoxypropyl)-4-phenylpiperazine-1-carboxamide
CID 47128071

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-[4-[1-(3-methoxypropylamino)ethenyl]-4-phenylpiperidin-1-yl]propan-1-one?
The IUPAC name of 3-cyclopentyl-1-[4-[1-(3-methoxypropylamino)ethenyl]-4-phenylpiperidin-1-yl]propan-1-one (CID 89031878) is 3-cyclopentyl-1-[4-[1-(3-methoxypropylamino)ethenyl]-4-phenylpiperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-cyclopentyl-1-[4-[1-(3-methoxypropylamino)ethenyl]-4-phenylpiperidin-1-yl]propan-1-one?
The canonical SMILES for 3-cyclopentyl-1-[4-[1-(3-methoxypropylamino)ethenyl]-4-phenylpiperidin-1-yl]propan-1-one is C=C(NCCCOC)C1(c2ccccc2)CCN(C(=O)CCC2CCCC2)CC1.
What is the InChIKey of 3-cyclopentyl-1-[4-[1-(3-methoxypropylamino)ethenyl]-4-phenylpiperidin-1-yl]propan-1-one?
The InChIKey is RFYPZGBWPIOATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38N2O2/c1-21(26-17-8-20-29-2)25(23-11-4-3-5-12-23)15-18-27(19-16-25)24(28)14-13-22-9-6-7-10-22/h3-5,11-12,22,26H,1,6-10,13-20H2,2H3.
What are the key properties of 3-cyclopentyl-1-[4-[1-(3-methoxypropylamino)ethenyl]-4-phenylpiperidin-1-yl]propan-1-one?
3-cyclopentyl-1-[4-[1-(3-methoxypropylamino)ethenyl]-4-phenylpiperidin-1-yl]propan-1-one has a molecular weight of 398.59 g/mol, XLogP of 4.66, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-[4-[1-(3-methoxypropylamino)ethenyl]-4-phenylpiperidin-1-yl]propan-1-one is sourced from PubChem (CID 89031878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).