1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]piperidine-4-carboxamide

C21H33N3O2 — CID 10155398

IUPAC1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(Cc2ccc(OCCCN3CCCCC3)cc2)CC1
InChIInChI=1S/C21H33N3O2/c22-21(25)19-9-14-24(15-10-19)17-18-5-7-20(8-6-18)26-16-4-13-23-11-2-1-3-12-23/h5-8,19H,1-4,9-17H2,(H2,22,25)
InChIKeyDICHVUOTONTMRI-UHFFFAOYSA-N
MW359.51 g/mol
LogP2.64
Rot. Bonds8

About 1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]piperidine-4-carboxamide

1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]piperidine-4-carboxamide (PubChem CID 10155398) has the molecular formula C21H33N3O2 and a molecular weight of 359.51 g/mol. Its IUPAC name is 1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]piperidine-4-carboxamide
PubChem CID10155398
Molecular FormulaC21H33N3O2
Molecular Weight359.51 g/mol
Exact Mass359.26
IUPAC Name1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(Cc2ccc(OCCCN3CCCCC3)cc2)CC1
InChIInChI=1S/C21H33N3O2/c22-21(25)19-9-14-24(15-10-19)17-18-5-7-20(8-6-18)26-16-4-13-23-11-2-1-3-12-23/h5-8,19H,1-4,9-17H2,(H2,22,25)
InChIKeyDICHVUOTONTMRI-UHFFFAOYSA-N
XLogP2.64
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]piperidine-4-carboxamide (CID 10155398) is 1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]piperidine-4-carboxamide is NC(=O)C1CCN(Cc2ccc(OCCCN3CCCCC3)cc2)CC1.
What is the InChIKey of 1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]piperidine-4-carboxamide?
The InChIKey is DICHVUOTONTMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O2/c22-21(25)19-9-14-24(15-10-19)17-18-5-7-20(8-6-18)26-16-4-13-23-11-2-1-3-12-23/h5-8,19H,1-4,9-17H2,(H2,22,25).
What are the key properties of 1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]piperidine-4-carboxamide?
1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]piperidine-4-carboxamide has a molecular weight of 359.51 g/mol, XLogP of 2.64, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 10155398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).