5-(4-benzylpiperidin-1-yl)-N-(3-methoxypropyl)pyridine-2-carboxamide

C22H29N3O2 — CID 109184262

IUPAC5-(4-benzylpiperidin-1-yl)-N-(3-methoxypropyl)pyridine-2-carboxamide
SMILESCOCCCNC(=O)c1ccc(N2CCC(Cc3ccccc3)CC2)cn1
InChIInChI=1S/C22H29N3O2/c1-27-15-5-12-23-22(26)21-9-8-20(17-24-21)25-13-10-19(11-14-25)16-18-6-3-2-4-7-18/h2-4,6-9,17,19H,5,10-16H2,1H3,(H,23,26)
InChIKeyFDXWPOWYNNWRQH-UHFFFAOYSA-N
MW367.49 g/mol
LogP3.31
Rot. Bonds8

About 5-(4-benzylpiperidin-1-yl)-N-(3-methoxypropyl)pyridine-2-carboxamide

5-(4-benzylpiperidin-1-yl)-N-(3-methoxypropyl)pyridine-2-carboxamide (PubChem CID 109184262) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 5-(4-benzylpiperidin-1-yl)-N-(3-methoxypropyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(4-benzylpiperidin-1-yl)-N-(3-methoxypropyl)pyridine-2-carboxamide
PubChem CID109184262
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name5-(4-benzylpiperidin-1-yl)-N-(3-methoxypropyl)pyridine-2-carboxamide
SMILESCOCCCNC(=O)c1ccc(N2CCC(Cc3ccccc3)CC2)cn1
InChIInChI=1S/C22H29N3O2/c1-27-15-5-12-23-22(26)21-9-8-20(17-24-21)25-13-10-19(11-14-25)16-18-6-3-2-4-7-18/h2-4,6-9,17,19H,5,10-16H2,1H3,(H,23,26)
InChIKeyFDXWPOWYNNWRQH-UHFFFAOYSA-N
XLogP3.31
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.31
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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Related Compounds

5-(4-benzylpiperidin-1-yl)-N-butylpyridine-2-carboxamide
CID 109180700
5-(4-benzylpiperidin-1-yl)-N-(3-methoxypropyl)pyrazine-2-carboxamide
CID 109276089
N-(3-methoxypropyl)-5-(4-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109183419
5-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109184245
5-(4-benzylpiperidin-1-yl)-N-butylpyrazine-2-carboxamide
CID 109272418
5-(4-acetylpiperazin-1-yl)-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109183834
4-(4-benzylpiperidine-1-carbonyl)-N-(3-methoxypropyl)benzamide
CID 109045307
6-(4-benzylpiperidin-1-yl)-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109153028
N-(2-methoxyethyl)-5-piperazin-1-ylpyridine-2-carboxamide
CID 166082465
5-(4-phenylpiperazin-1-yl)-N-propylpyridine-2-carboxamide
CID 109179090
5-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109183865
ethyl 4-[6-(2-phenylethylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate
CID 109191756

Frequently Asked Questions

What is the IUPAC name of 5-(4-benzylpiperidin-1-yl)-N-(3-methoxypropyl)pyridine-2-carboxamide?
The IUPAC name of 5-(4-benzylpiperidin-1-yl)-N-(3-methoxypropyl)pyridine-2-carboxamide (CID 109184262) is 5-(4-benzylpiperidin-1-yl)-N-(3-methoxypropyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(4-benzylpiperidin-1-yl)-N-(3-methoxypropyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(4-benzylpiperidin-1-yl)-N-(3-methoxypropyl)pyridine-2-carboxamide is COCCCNC(=O)c1ccc(N2CCC(Cc3ccccc3)CC2)cn1.
What is the InChIKey of 5-(4-benzylpiperidin-1-yl)-N-(3-methoxypropyl)pyridine-2-carboxamide?
The InChIKey is FDXWPOWYNNWRQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-27-15-5-12-23-22(26)21-9-8-20(17-24-21)25-13-10-19(11-14-25)16-18-6-3-2-4-7-18/h2-4,6-9,17,19H,5,10-16H2,1H3,(H,23,26).
What are the key properties of 5-(4-benzylpiperidin-1-yl)-N-(3-methoxypropyl)pyridine-2-carboxamide?
5-(4-benzylpiperidin-1-yl)-N-(3-methoxypropyl)pyridine-2-carboxamide has a molecular weight of 367.49 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-benzylpiperidin-1-yl)-N-(3-methoxypropyl)pyridine-2-carboxamide is sourced from PubChem (CID 109184262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).