3-N-(3-cyclohexyloxypropyl)-1-N-phenylpiperidine-1,3-dicarboxamide

C22H33N3O3 — CID 51239700

IUPAC3-N-(3-cyclohexyloxypropyl)-1-N-phenylpiperidine-1,3-dicarboxamide
SMILESO=C(NCCCOC1CCCCC1)C1CCCN(C(=O)Nc2ccccc2)C1
InChIInChI=1S/C22H33N3O3/c26-21(23-14-8-16-28-20-12-5-2-6-13-20)18-9-7-15-25(17-18)22(27)24-19-10-3-1-4-11-19/h1,3-4,10-11,18,20H,2,5-9,12-17H2,(H,23,26)(H,24,27)
InChIKeyLCGDJYSZODREEU-UHFFFAOYSA-N
MW387.52 g/mol
LogP3.79
Rot. Bonds7

About 3-N-(3-cyclohexyloxypropyl)-1-N-phenylpiperidine-1,3-dicarboxamide

3-N-(3-cyclohexyloxypropyl)-1-N-phenylpiperidine-1,3-dicarboxamide (PubChem CID 51239700) has the molecular formula C22H33N3O3 and a molecular weight of 387.52 g/mol. Its IUPAC name is 3-N-(3-cyclohexyloxypropyl)-1-N-phenylpiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(3-cyclohexyloxypropyl)-1-N-phenylpiperidine-1,3-dicarboxamide
PubChem CID51239700
Molecular FormulaC22H33N3O3
Molecular Weight387.52 g/mol
Exact Mass387.25
IUPAC Name3-N-(3-cyclohexyloxypropyl)-1-N-phenylpiperidine-1,3-dicarboxamide
SMILESO=C(NCCCOC1CCCCC1)C1CCCN(C(=O)Nc2ccccc2)C1
InChIInChI=1S/C22H33N3O3/c26-21(23-14-8-16-28-20-12-5-2-6-13-20)18-9-7-15-25(17-18)22(27)24-19-10-3-1-4-11-19/h1,3-4,10-11,18,20H,2,5-9,12-17H2,(H,23,26)(H,24,27)
InChIKeyLCGDJYSZODREEU-UHFFFAOYSA-N
XLogP3.79
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.52
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-N-[2-(cycloheptylamino)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 119620174
3-N-[3-(methylamino)propyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 119431536
(3R)-3-N-butyl-1-N-[4-(phenylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide
CID 92900294
(3R)-3-N-[2-(4-ethoxyphenoxy)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 8530719
(3R)-3-N-[2-(4-methylphenoxy)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9088747
(3S)-1-(benzenesulfonyl)-N-(3-cyclopentyloxypropyl)piperidine-3-carboxamide
CID 99622037
3-N-(2-anilino-2-oxoethyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 55991364
3-N-butyl-1-N-[3-(phenylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide
CID 50845776
1-N-(4-methoxyphenyl)-3-N-(3-methoxypropyl)piperidine-1,3-dicarboxamide
CID 650630
1-N-phenyl-3-N-(2-pyridin-2-ylethyl)piperidine-1,3-dicarboxamide
CID 51250780
3-N-ethyl-1-N-[4-(phenylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide
CID 50846126
(3S)-3-N-[2-(1H-indol-3-yl)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 40972160

Frequently Asked Questions

What is the IUPAC name of 3-N-(3-cyclohexyloxypropyl)-1-N-phenylpiperidine-1,3-dicarboxamide?
The IUPAC name of 3-N-(3-cyclohexyloxypropyl)-1-N-phenylpiperidine-1,3-dicarboxamide (CID 51239700) is 3-N-(3-cyclohexyloxypropyl)-1-N-phenylpiperidine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(3-cyclohexyloxypropyl)-1-N-phenylpiperidine-1,3-dicarboxamide?
The canonical SMILES for 3-N-(3-cyclohexyloxypropyl)-1-N-phenylpiperidine-1,3-dicarboxamide is O=C(NCCCOC1CCCCC1)C1CCCN(C(=O)Nc2ccccc2)C1.
What is the InChIKey of 3-N-(3-cyclohexyloxypropyl)-1-N-phenylpiperidine-1,3-dicarboxamide?
The InChIKey is LCGDJYSZODREEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O3/c26-21(23-14-8-16-28-20-12-5-2-6-13-20)18-9-7-15-25(17-18)22(27)24-19-10-3-1-4-11-19/h1,3-4,10-11,18,20H,2,5-9,12-17H2,(H,23,26)(H,24,27).
What are the key properties of 3-N-(3-cyclohexyloxypropyl)-1-N-phenylpiperidine-1,3-dicarboxamide?
3-N-(3-cyclohexyloxypropyl)-1-N-phenylpiperidine-1,3-dicarboxamide has a molecular weight of 387.52 g/mol, XLogP of 3.79, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3-cyclohexyloxypropyl)-1-N-phenylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 51239700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).