4-(3-methylpiperidin-1-yl)-N-pyridin-3-ylbenzamide

C18H21N3O — CID 142678923

IUPAC4-(3-methylpiperidin-1-yl)-N-pyridin-3-ylbenzamide
SMILESCC1CCCN(c2ccc(C(=O)Nc3cccnc3)cc2)C1
InChIInChI=1S/C18H21N3O/c1-14-4-3-11-21(13-14)17-8-6-15(7-9-17)18(22)20-16-5-2-10-19-12-16/h2,5-10,12,14H,3-4,11,13H2,1H3,(H,20,22)
InChIKeyDDXCELOMLSMIJN-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.57
Rot. Bonds3

About 4-(3-methylpiperidin-1-yl)-N-pyridin-3-ylbenzamide

4-(3-methylpiperidin-1-yl)-N-pyridin-3-ylbenzamide (PubChem CID 142678923) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 4-(3-methylpiperidin-1-yl)-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name4-(3-methylpiperidin-1-yl)-N-pyridin-3-ylbenzamide
PubChem CID142678923
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name4-(3-methylpiperidin-1-yl)-N-pyridin-3-ylbenzamide
SMILESCC1CCCN(c2ccc(C(=O)Nc3cccnc3)cc2)C1
InChIInChI=1S/C18H21N3O/c1-14-4-3-11-21(13-14)17-8-6-15(7-9-17)18(22)20-16-5-2-10-19-12-16/h2,5-10,12,14H,3-4,11,13H2,1H3,(H,20,22)
InChIKeyDDXCELOMLSMIJN-UHFFFAOYSA-N
XLogP3.57
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-[4-[(3R)-3-methylpiperidin-1-yl]phenyl]ethyl]pyridine-3-carboxamide
CID 100629639
3-(3-methylpiperidin-1-yl)pyridine
CID 139386622
N-[4-(3-methylpyrrolidin-1-yl)phenyl]-4-(phenylcarbamoylamino)benzamide
CID 56556326
methyl 4-[[5-(3-methylpiperidin-1-yl)pyridine-3-carbonyl]amino]benzoate
CID 109240867
methyl 4-[(3S)-3-methylpiperidin-1-yl]benzoate
CID 90090006
4-(3-methylpiperidin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 109218267
N'-methyl-N'-[(3S)-1-phenylpiperidin-3-yl]-N-pyridin-3-yloxamide
CID 129401003
4-tert-butyl-N-pyridin-3-ylbenzamide
CID 676176
N-(3-acetamidophenyl)-2-(3-methylpiperidin-1-yl)pyridine-4-carboxamide
CID 109175784
2-[(4-fluorobenzoyl)amino]-5-[(3R)-3-methylpiperidin-1-yl]benzoic acid
CID 95054138
4-hydroxy-N-pyridin-3-ylbenzamide
CID 15965764
N-(3-bromophenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109264504

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylpiperidin-1-yl)-N-pyridin-3-ylbenzamide?
The IUPAC name of 4-(3-methylpiperidin-1-yl)-N-pyridin-3-ylbenzamide (CID 142678923) is 4-(3-methylpiperidin-1-yl)-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 4-(3-methylpiperidin-1-yl)-N-pyridin-3-ylbenzamide?
The canonical SMILES for 4-(3-methylpiperidin-1-yl)-N-pyridin-3-ylbenzamide is CC1CCCN(c2ccc(C(=O)Nc3cccnc3)cc2)C1.
What is the InChIKey of 4-(3-methylpiperidin-1-yl)-N-pyridin-3-ylbenzamide?
The InChIKey is DDXCELOMLSMIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-14-4-3-11-21(13-14)17-8-6-15(7-9-17)18(22)20-16-5-2-10-19-12-16/h2,5-10,12,14H,3-4,11,13H2,1H3,(H,20,22).
What are the key properties of 4-(3-methylpiperidin-1-yl)-N-pyridin-3-ylbenzamide?
4-(3-methylpiperidin-1-yl)-N-pyridin-3-ylbenzamide has a molecular weight of 295.39 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylpiperidin-1-yl)-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 142678923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).