1-[(3-hydroxy-4-methoxyphenyl)methyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide

C20H25N3O3 — CID 154798177

IUPAC1-[(3-hydroxy-4-methoxyphenyl)methyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCOc1ccc(CN2CCC(C(=O)Nc3ccc(C)cn3)CC2)cc1O
InChIInChI=1S/C20H25N3O3/c1-14-3-6-19(21-12-14)22-20(25)16-7-9-23(10-8-16)13-15-4-5-18(26-2)17(24)11-15/h3-6,11-12,16,24H,7-10,13H2,1-2H3,(H,21,22,25)
InChIKeyCRDHMEJUFRTXDV-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.95
Rot. Bonds5

About 1-[(3-hydroxy-4-methoxyphenyl)methyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide

1-[(3-hydroxy-4-methoxyphenyl)methyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide (PubChem CID 154798177) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 1-[(3-hydroxy-4-methoxyphenyl)methyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(3-hydroxy-4-methoxyphenyl)methyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
PubChem CID154798177
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name1-[(3-hydroxy-4-methoxyphenyl)methyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCOc1ccc(CN2CCC(C(=O)Nc3ccc(C)cn3)CC2)cc1O
InChIInChI=1S/C20H25N3O3/c1-14-3-6-19(21-12-14)22-20(25)16-7-9-23(10-8-16)13-15-4-5-18(26-2)17(24)11-15/h3-6,11-12,16,24H,7-10,13H2,1-2H3,(H,21,22,25)
InChIKeyCRDHMEJUFRTXDV-UHFFFAOYSA-N
XLogP2.95
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-chlorophenyl)methyl]-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide
CID 45015995
1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 120898685
1-[(4-hydroxy-3-methoxyphenyl)methyl]-N-[4-(3-methylphenyl)phenyl]piperidine-4-carboxamide
CID 26321068
1-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55922959
1-[1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55921796
N-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 53284727
methyl 4,5-dimethoxy-2-[[1-[(3-methylphenyl)methyl]piperidine-4-carbonyl]amino]benzoate
CID 45012095
5-[(4,4-dimethylazepan-1-yl)methyl]-2-methoxyphenol
CID 82981011
1-[(4-methylphenyl)methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide
CID 46775352
N-(4-chloro-2,5-dimethoxyphenyl)-1-[(3-methylphenyl)methyl]piperidine-4-carboxamide
CID 45012607
1-[(3-hydroxy-4-methoxyphenyl)methyl]azetidine-3-carboxylic acid
CID 65071834
1-[(2-methyl-5-oxopyrrolidin-1-yl)methyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 56806493

Frequently Asked Questions

What is the IUPAC name of 1-[(3-hydroxy-4-methoxyphenyl)methyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of 1-[(3-hydroxy-4-methoxyphenyl)methyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide (CID 154798177) is 1-[(3-hydroxy-4-methoxyphenyl)methyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(3-hydroxy-4-methoxyphenyl)methyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(3-hydroxy-4-methoxyphenyl)methyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide is COc1ccc(CN2CCC(C(=O)Nc3ccc(C)cn3)CC2)cc1O.
What is the InChIKey of 1-[(3-hydroxy-4-methoxyphenyl)methyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?
The InChIKey is CRDHMEJUFRTXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-14-3-6-19(21-12-14)22-20(25)16-7-9-23(10-8-16)13-15-4-5-18(26-2)17(24)11-15/h3-6,11-12,16,24H,7-10,13H2,1-2H3,(H,21,22,25).
What are the key properties of 1-[(3-hydroxy-4-methoxyphenyl)methyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?
1-[(3-hydroxy-4-methoxyphenyl)methyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-hydroxy-4-methoxyphenyl)methyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 154798177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).