3-methyl-3-phenyl-N-(3-pyridin-3-ylpropyl)piperidine-1-carboxamide

C21H27N3O — CID 46882875

IUPAC3-methyl-3-phenyl-N-(3-pyridin-3-ylpropyl)piperidine-1-carboxamide
SMILESCC1(c2ccccc2)CCCN(C(=O)NCCCc2cccnc2)C1
InChIInChI=1S/C21H27N3O/c1-21(19-10-3-2-4-11-19)12-7-15-24(17-21)20(25)23-14-6-9-18-8-5-13-22-16-18/h2-5,8,10-11,13,16H,6-7,9,12,14-15,17H2,1H3,(H,23,25)
InChIKeyALFVRYXSTFHIKR-UHFFFAOYSA-N
MW337.47 g/mol
LogP3.78
Rot. Bonds5

About 3-methyl-3-phenyl-N-(3-pyridin-3-ylpropyl)piperidine-1-carboxamide

3-methyl-3-phenyl-N-(3-pyridin-3-ylpropyl)piperidine-1-carboxamide (PubChem CID 46882875) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is 3-methyl-3-phenyl-N-(3-pyridin-3-ylpropyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-methyl-3-phenyl-N-(3-pyridin-3-ylpropyl)piperidine-1-carboxamide
PubChem CID46882875
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC Name3-methyl-3-phenyl-N-(3-pyridin-3-ylpropyl)piperidine-1-carboxamide
SMILESCC1(c2ccccc2)CCCN(C(=O)NCCCc2cccnc2)C1
InChIInChI=1S/C21H27N3O/c1-21(19-10-3-2-4-11-19)12-7-15-24(17-21)20(25)23-14-6-9-18-8-5-13-22-16-18/h2-5,8,10-11,13,16H,6-7,9,12,14-15,17H2,1H3,(H,23,25)
InChIKeyALFVRYXSTFHIKR-UHFFFAOYSA-N
XLogP3.78
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 10158562
CID 10158562
CID 888059
CID 888059
CID 650313
CID 650313
CID 853670
CID 853670
CID 11976254
CID 11976254
CID 44414874
CID 44414874
CID 90655362
CID 90655362
CID 9819027
CID 9819027
CID 57485530
CID 57485530
CID 57485798
CID 57485798
CID 290474
CID 290474
CID 2730137
CID 2730137

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-phenyl-N-(3-pyridin-3-ylpropyl)piperidine-1-carboxamide?
The IUPAC name of 3-methyl-3-phenyl-N-(3-pyridin-3-ylpropyl)piperidine-1-carboxamide (CID 46882875) is 3-methyl-3-phenyl-N-(3-pyridin-3-ylpropyl)piperidine-1-carboxamide.
What is the SMILES notation for 3-methyl-3-phenyl-N-(3-pyridin-3-ylpropyl)piperidine-1-carboxamide?
The canonical SMILES for 3-methyl-3-phenyl-N-(3-pyridin-3-ylpropyl)piperidine-1-carboxamide is CC1(c2ccccc2)CCCN(C(=O)NCCCc2cccnc2)C1.
What is the InChIKey of 3-methyl-3-phenyl-N-(3-pyridin-3-ylpropyl)piperidine-1-carboxamide?
The InChIKey is ALFVRYXSTFHIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c1-21(19-10-3-2-4-11-19)12-7-15-24(17-21)20(25)23-14-6-9-18-8-5-13-22-16-18/h2-5,8,10-11,13,16H,6-7,9,12,14-15,17H2,1H3,(H,23,25).
What are the key properties of 3-methyl-3-phenyl-N-(3-pyridin-3-ylpropyl)piperidine-1-carboxamide?
3-methyl-3-phenyl-N-(3-pyridin-3-ylpropyl)piperidine-1-carboxamide has a molecular weight of 337.47 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-phenyl-N-(3-pyridin-3-ylpropyl)piperidine-1-carboxamide is sourced from PubChem (CID 46882875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).