N-[3-(4-benzylpiperidin-1-yl)propyl]-1-pyridin-4-ylpiperidine-3-carboxamide

C26H36N4O — CID 46384664

IUPACN-[3-(4-benzylpiperidin-1-yl)propyl]-1-pyridin-4-ylpiperidine-3-carboxamide
SMILESO=C(NCCCN1CCC(Cc2ccccc2)CC1)C1CCCN(c2ccncc2)C1
InChIInChI=1S/C26H36N4O/c31-26(24-8-4-17-30(21-24)25-9-14-27-15-10-25)28-13-5-16-29-18-11-23(12-19-29)20-22-6-2-1-3-7-22/h1-3,6-7,9-10,14-15,23-24H,4-5,8,11-13,16-21H2,(H,28,31)
InChIKeyQXFOMKZDYKEYEF-UHFFFAOYSA-N
MW420.60 g/mol
LogP3.76
Rot. Bonds8

About N-[3-(4-benzylpiperidin-1-yl)propyl]-1-pyridin-4-ylpiperidine-3-carboxamide

N-[3-(4-benzylpiperidin-1-yl)propyl]-1-pyridin-4-ylpiperidine-3-carboxamide (PubChem CID 46384664) has the molecular formula C26H36N4O and a molecular weight of 420.60 g/mol. Its IUPAC name is N-[3-(4-benzylpiperidin-1-yl)propyl]-1-pyridin-4-ylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(4-benzylpiperidin-1-yl)propyl]-1-pyridin-4-ylpiperidine-3-carboxamide
PubChem CID46384664
Molecular FormulaC26H36N4O
Molecular Weight420.60 g/mol
Exact Mass420.29
IUPAC NameN-[3-(4-benzylpiperidin-1-yl)propyl]-1-pyridin-4-ylpiperidine-3-carboxamide
SMILESO=C(NCCCN1CCC(Cc2ccccc2)CC1)C1CCCN(c2ccncc2)C1
InChIInChI=1S/C26H36N4O/c31-26(24-8-4-17-30(21-24)25-9-14-27-15-10-25)28-13-5-16-29-18-11-23(12-19-29)20-22-6-2-1-3-7-22/h1-3,6-7,9-10,14-15,23-24H,4-5,8,11-13,16-21H2,(H,28,31)
InChIKeyQXFOMKZDYKEYEF-UHFFFAOYSA-N
XLogP3.76
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.60
LogP ≤ 53.76
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 N-[3-(4-benzylpiperidin-1-yl)propyl]-1-pyridin-4-ylpiperidine-3-carboxamide?
The IUPAC name of N-[3-(4-benzylpiperidin-1-yl)propyl]-1-pyridin-4-ylpiperidine-3-carboxamide (CID 46384664) is N-[3-(4-benzylpiperidin-1-yl)propyl]-1-pyridin-4-ylpiperidine-3-carboxamide.
What is the SMILES notation for N-[3-(4-benzylpiperidin-1-yl)propyl]-1-pyridin-4-ylpiperidine-3-carboxamide?
The canonical SMILES for N-[3-(4-benzylpiperidin-1-yl)propyl]-1-pyridin-4-ylpiperidine-3-carboxamide is O=C(NCCCN1CCC(Cc2ccccc2)CC1)C1CCCN(c2ccncc2)C1.
What is the InChIKey of N-[3-(4-benzylpiperidin-1-yl)propyl]-1-pyridin-4-ylpiperidine-3-carboxamide?
The InChIKey is QXFOMKZDYKEYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N4O/c31-26(24-8-4-17-30(21-24)25-9-14-27-15-10-25)28-13-5-16-29-18-11-23(12-19-29)20-22-6-2-1-3-7-22/h1-3,6-7,9-10,14-15,23-24H,4-5,8,11-13,16-21H2,(H,28,31).
What are the key properties of N-[3-(4-benzylpiperidin-1-yl)propyl]-1-pyridin-4-ylpiperidine-3-carboxamide?
N-[3-(4-benzylpiperidin-1-yl)propyl]-1-pyridin-4-ylpiperidine-3-carboxamide has a molecular weight of 420.60 g/mol, XLogP of 3.76, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-benzylpiperidin-1-yl)propyl]-1-pyridin-4-ylpiperidine-3-carboxamide is sourced from PubChem (CID 46384664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).