N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide

C14H27N3O — CID 16770007

IUPACN-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide
SMILESO=C(NCCCN1CCCCC1)C1CCNCC1
InChIInChI=1S/C14H27N3O/c18-14(13-5-8-15-9-6-13)16-7-4-12-17-10-2-1-3-11-17/h13,15H,1-12H2,(H,16,18)
InChIKeyDSERYJLMOXIOOG-UHFFFAOYSA-N
MW253.39 g/mol
LogP0.98
Rot. Bonds5

About N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide

N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide (PubChem CID 16770007) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide
PubChem CID16770007
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC NameN-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide
SMILESO=C(NCCCN1CCCCC1)C1CCNCC1
InChIInChI=1S/C14H27N3O/c18-14(13-5-8-15-9-6-13)16-7-4-12-17-10-2-1-3-11-17/h13,15H,1-12H2,(H,16,18)
InChIKeyDSERYJLMOXIOOG-UHFFFAOYSA-N
XLogP0.98
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 50.98
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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Frequently Asked Questions

What is the IUPAC name of N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide?
The IUPAC name of N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide (CID 16770007) is N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide?
The canonical SMILES for N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide is O=C(NCCCN1CCCCC1)C1CCNCC1.
What is the InChIKey of N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide?
The InChIKey is DSERYJLMOXIOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c18-14(13-5-8-15-9-6-13)16-7-4-12-17-10-2-1-3-11-17/h13,15H,1-12H2,(H,16,18).
What are the key properties of N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide?
N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide has a molecular weight of 253.39 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide is sourced from PubChem (CID 16770007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).