1-[(2-hydroxy-7-methoxynaphthalen-1-yl)methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide

C24H27N3O3 — CID 55813659

IUPAC1-[(2-hydroxy-7-methoxynaphthalen-1-yl)methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
SMILESCOc1ccc2ccc(O)c(CN3CCCC(C(=O)Nc4cccc(C)n4)C3)c2c1
InChIInChI=1S/C24H27N3O3/c1-16-5-3-7-23(25-16)26-24(29)18-6-4-12-27(14-18)15-21-20-13-19(30-2)10-8-17(20)9-11-22(21)28/h3,5,7-11,13,18,28H,4,6,12,14-15H2,1-2H3,(H,25,26,29)
InChIKeyPCWWNIWVMQXZMQ-UHFFFAOYSA-N
MW405.50 g/mol
LogP4.11
Rot. Bonds5

About 1-[(2-hydroxy-7-methoxynaphthalen-1-yl)methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide

1-[(2-hydroxy-7-methoxynaphthalen-1-yl)methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide (PubChem CID 55813659) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is 1-[(2-hydroxy-7-methoxynaphthalen-1-yl)methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(2-hydroxy-7-methoxynaphthalen-1-yl)methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
PubChem CID55813659
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Name1-[(2-hydroxy-7-methoxynaphthalen-1-yl)methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
SMILESCOc1ccc2ccc(O)c(CN3CCCC(C(=O)Nc4cccc(C)n4)C3)c2c1
InChIInChI=1S/C24H27N3O3/c1-16-5-3-7-23(25-16)26-24(29)18-6-4-12-27(14-18)15-21-20-13-19(30-2)10-8-17(20)9-11-22(21)28/h3,5,7-11,13,18,28H,4,6,12,14-15H2,1-2H3,(H,25,26,29)
InChIKeyPCWWNIWVMQXZMQ-UHFFFAOYSA-N
XLogP4.11
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

1-[(2-hydroxy-7-methoxynaphthalen-1-yl)methyl]-N-pyridin-2-ylpiperidine-4-carboxamide
CID 55865729
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 136525947
methyl 2-methyl-5-[[3-[(6-methyl-2-pyridinyl)carbamoyl]piperidin-1-yl]methyl]furan-3-carboxylate
CID 78903955
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 47525319
(3R)-N-(6-methyl-2-pyridinyl)-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 95139642
1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 136519485
1-[(2,6-dichlorophenyl)methyl]-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 43919691
(3S)-1-[(2,6-dichlorophenyl)methyl]-N-(2,4-dimethoxyphenyl)piperidine-3-carboxamide
CID 93490793
(3S)-1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 94535153
(3S)-1-[(2S)-2-hydroxy-3-naphthalen-2-ylpropyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 100615184
(3R)-1-[3-(methylcarbamoylamino)-3-oxopropyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 94821180
1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide;hydrochloride
CID 120898680

Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxy-7-methoxynaphthalen-1-yl)methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide?
The IUPAC name of 1-[(2-hydroxy-7-methoxynaphthalen-1-yl)methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide (CID 55813659) is 1-[(2-hydroxy-7-methoxynaphthalen-1-yl)methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[(2-hydroxy-7-methoxynaphthalen-1-yl)methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[(2-hydroxy-7-methoxynaphthalen-1-yl)methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide is COc1ccc2ccc(O)c(CN3CCCC(C(=O)Nc4cccc(C)n4)C3)c2c1.
What is the InChIKey of 1-[(2-hydroxy-7-methoxynaphthalen-1-yl)methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide?
The InChIKey is PCWWNIWVMQXZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-16-5-3-7-23(25-16)26-24(29)18-6-4-12-27(14-18)15-21-20-13-19(30-2)10-8-17(20)9-11-22(21)28/h3,5,7-11,13,18,28H,4,6,12,14-15H2,1-2H3,(H,25,26,29).
What are the key properties of 1-[(2-hydroxy-7-methoxynaphthalen-1-yl)methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide?
1-[(2-hydroxy-7-methoxynaphthalen-1-yl)methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 4.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxy-7-methoxynaphthalen-1-yl)methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide is sourced from PubChem (CID 55813659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).