1-[(2-hydroxy-7-methoxynaphthalen-1-yl)methyl]-N-pyridin-2-ylpiperidine-4-carboxamide

C23H25N3O3 — CID 55865729

IUPAC1-[(2-hydroxy-7-methoxynaphthalen-1-yl)methyl]-N-pyridin-2-ylpiperidine-4-carboxamide
SMILESCOc1ccc2ccc(O)c(CN3CCC(C(=O)Nc4ccccn4)CC3)c2c1
InChIInChI=1S/C23H25N3O3/c1-29-18-7-5-16-6-8-21(27)20(19(16)14-18)15-26-12-9-17(10-13-26)23(28)25-22-4-2-3-11-24-22/h2-8,11,14,17,27H,9-10,12-13,15H2,1H3,(H,24,25,28)
InChIKeyWOVVHMKYQCGKPG-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.80
Rot. Bonds5

About 1-[(2-hydroxy-7-methoxynaphthalen-1-yl)methyl]-N-pyridin-2-ylpiperidine-4-carboxamide

1-[(2-hydroxy-7-methoxynaphthalen-1-yl)methyl]-N-pyridin-2-ylpiperidine-4-carboxamide (PubChem CID 55865729) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 1-[(2-hydroxy-7-methoxynaphthalen-1-yl)methyl]-N-pyridin-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2-hydroxy-7-methoxynaphthalen-1-yl)methyl]-N-pyridin-2-ylpiperidine-4-carboxamide
PubChem CID55865729
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name1-[(2-hydroxy-7-methoxynaphthalen-1-yl)methyl]-N-pyridin-2-ylpiperidine-4-carboxamide
SMILESCOc1ccc2ccc(O)c(CN3CCC(C(=O)Nc4ccccn4)CC3)c2c1
InChIInChI=1S/C23H25N3O3/c1-29-18-7-5-16-6-8-21(27)20(19(16)14-18)15-26-12-9-17(10-13-26)23(28)25-22-4-2-3-11-24-22/h2-8,11,14,17,27H,9-10,12-13,15H2,1H3,(H,24,25,28)
InChIKeyWOVVHMKYQCGKPG-UHFFFAOYSA-N
XLogP3.80
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.80
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-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55813659
1-[4-[(2-hydroxy-7-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]ethanone
CID 75412809
1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-pyridin-2-ylpiperidine-4-carboxamide
CID 55994634
7-methoxy-1-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]naphthalen-2-ol
CID 2672032
1-[(3-methoxyphenyl)methyl]-N-naphthalen-2-ylpiperidine-4-carboxamide
CID 43919627
methyl (2R)-4-[(2-hydroxy-7-methoxynaphthalen-1-yl)methyl]thiomorpholine-2-carboxylate
CID 9233693
1-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-N-pyridin-2-ylpiperidine-4-carboxamide
CID 51128933
N-[2-amino-6-(4-methoxybenzoyl)phenyl]-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 69361254
1-(2-phenylsulfanylacetyl)-N-pyridin-2-ylpiperidine-4-carboxamide
CID 55808341
1-[2-oxo-2-(pyridin-2-ylamino)ethyl]piperidine-4-carboxamide
CID 2917692
1-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]naphthalen-2-ol
CID 9325307
1-[[(2S)-2-ethylmorpholin-4-yl]methyl]-7-methoxynaphthalen-2-ol
CID 34894357

Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxy-7-methoxynaphthalen-1-yl)methyl]-N-pyridin-2-ylpiperidine-4-carboxamide?
The IUPAC name of 1-[(2-hydroxy-7-methoxynaphthalen-1-yl)methyl]-N-pyridin-2-ylpiperidine-4-carboxamide (CID 55865729) is 1-[(2-hydroxy-7-methoxynaphthalen-1-yl)methyl]-N-pyridin-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[(2-hydroxy-7-methoxynaphthalen-1-yl)methyl]-N-pyridin-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-[(2-hydroxy-7-methoxynaphthalen-1-yl)methyl]-N-pyridin-2-ylpiperidine-4-carboxamide is COc1ccc2ccc(O)c(CN3CCC(C(=O)Nc4ccccn4)CC3)c2c1.
What is the InChIKey of 1-[(2-hydroxy-7-methoxynaphthalen-1-yl)methyl]-N-pyridin-2-ylpiperidine-4-carboxamide?
The InChIKey is WOVVHMKYQCGKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-29-18-7-5-16-6-8-21(27)20(19(16)14-18)15-26-12-9-17(10-13-26)23(28)25-22-4-2-3-11-24-22/h2-8,11,14,17,27H,9-10,12-13,15H2,1H3,(H,24,25,28).
What are the key properties of 1-[(2-hydroxy-7-methoxynaphthalen-1-yl)methyl]-N-pyridin-2-ylpiperidine-4-carboxamide?
1-[(2-hydroxy-7-methoxynaphthalen-1-yl)methyl]-N-pyridin-2-ylpiperidine-4-carboxamide has a molecular weight of 391.47 g/mol, XLogP of 3.80, 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-pyridin-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 55865729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).