[4-(aminomethyl)-4-hydroxypiperidin-1-yl]-[5-(4-methoxy-2-methylphenyl)-3-pyridinyl]methanone

C20H25N3O3 — CID 138057111

IUPAC[4-(aminomethyl)-4-hydroxypiperidin-1-yl]-[5-(4-methoxy-2-methylphenyl)-3-pyridinyl]methanone
SMILESCOc1ccc(-c2cncc(C(=O)N3CCC(O)(CN)CC3)c2)c(C)c1
InChIInChI=1S/C20H25N3O3/c1-14-9-17(26-2)3-4-18(14)15-10-16(12-22-11-15)19(24)23-7-5-20(25,13-21)6-8-23/h3-4,9-12,25H,5-8,13,21H2,1-2H3
InChIKeyHEMRPAARLGCXPW-UHFFFAOYSA-N
MW355.44 g/mol
LogP1.99
Rot. Bonds4

About [4-(aminomethyl)-4-hydroxypiperidin-1-yl]-[5-(4-methoxy-2-methylphenyl)-3-pyridinyl]methanone

[4-(aminomethyl)-4-hydroxypiperidin-1-yl]-[5-(4-methoxy-2-methylphenyl)-3-pyridinyl]methanone (PubChem CID 138057111) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is [4-(aminomethyl)-4-hydroxypiperidin-1-yl]-[5-(4-methoxy-2-methylphenyl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name[4-(aminomethyl)-4-hydroxypiperidin-1-yl]-[5-(4-methoxy-2-methylphenyl)-3-pyridinyl]methanone
PubChem CID138057111
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name[4-(aminomethyl)-4-hydroxypiperidin-1-yl]-[5-(4-methoxy-2-methylphenyl)-3-pyridinyl]methanone
SMILESCOc1ccc(-c2cncc(C(=O)N3CCC(O)(CN)CC3)c2)c(C)c1
InChIInChI=1S/C20H25N3O3/c1-14-9-17(26-2)3-4-18(14)15-10-16(12-22-11-15)19(24)23-7-5-20(25,13-21)6-8-23/h3-4,9-12,25H,5-8,13,21H2,1-2H3
InChIKeyHEMRPAARLGCXPW-UHFFFAOYSA-N
XLogP1.99
TPSA88.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [4-(aminomethyl)-4-hydroxypiperidin-1-yl]-[5-(4-methoxy-2-methylphenyl)-3-pyridinyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-methoxy-4-methylpiperidin-1-yl)-[5-(4-methoxyphenyl)-3-pyridinyl]methanone
CID 146125670
3-[4-(aminomethyl)-4-hydroxypiperidine-1-carbonyl]-7-methoxy-1H-quinolin-4-one
CID 138001661
[4-[(3,4-dimethylphenoxy)methyl]-4-hydroxypiperidin-1-yl]-(4-methoxyphenyl)methanone
CID 155991838
ethyl (3R)-1-[5-(2,5-dimethoxyphenyl)pyridine-3-carbonyl]piperidine-3-carboxylate
CID 93232627
[4-(aminomethyl)-4-hydroxypiperidin-1-yl]-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone
CID 166239498
5-(2,4-dimethoxyphenyl)pyridine-3-carboxylic acid
CID 24729791
[4-(aminomethyl)-4-hydroxypiperidin-1-yl]-[5-(4-methoxy-3-methylphenyl)naphthalen-1-yl]methanone
CID 175641456
[4-(cyclopropylmethylamino)piperidin-1-yl]-[5-(4-methoxyphenyl)-3-pyridinyl]methanone;dihydrochloride
CID 119622551
5-(4-methoxy-2-methylphenyl)-N-methyl-N-quinolin-2-ylpyridine-3-carboxamide
CID 166339782
2-methyl-8-[5-(4-methylphenyl)pyridine-3-carbonyl]-2,8-diazaspiro[4.5]decan-1-one
CID 139012982
[5-(4-methoxyanilino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 109226378
[(3S)-3-(hydroxymethyl)piperidin-1-yl]-[4-(4-methoxy-2-methylphenyl)phenyl]methanone
CID 126434367

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)-4-hydroxypiperidin-1-yl]-[5-(4-methoxy-2-methylphenyl)-3-pyridinyl]methanone?
The IUPAC name of [4-(aminomethyl)-4-hydroxypiperidin-1-yl]-[5-(4-methoxy-2-methylphenyl)-3-pyridinyl]methanone (CID 138057111) is [4-(aminomethyl)-4-hydroxypiperidin-1-yl]-[5-(4-methoxy-2-methylphenyl)-3-pyridinyl]methanone.
What is the SMILES notation for [4-(aminomethyl)-4-hydroxypiperidin-1-yl]-[5-(4-methoxy-2-methylphenyl)-3-pyridinyl]methanone?
The canonical SMILES for [4-(aminomethyl)-4-hydroxypiperidin-1-yl]-[5-(4-methoxy-2-methylphenyl)-3-pyridinyl]methanone is COc1ccc(-c2cncc(C(=O)N3CCC(O)(CN)CC3)c2)c(C)c1.
What is the InChIKey of [4-(aminomethyl)-4-hydroxypiperidin-1-yl]-[5-(4-methoxy-2-methylphenyl)-3-pyridinyl]methanone?
The InChIKey is HEMRPAARLGCXPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-14-9-17(26-2)3-4-18(14)15-10-16(12-22-11-15)19(24)23-7-5-20(25,13-21)6-8-23/h3-4,9-12,25H,5-8,13,21H2,1-2H3.
What are the key properties of [4-(aminomethyl)-4-hydroxypiperidin-1-yl]-[5-(4-methoxy-2-methylphenyl)-3-pyridinyl]methanone?
[4-(aminomethyl)-4-hydroxypiperidin-1-yl]-[5-(4-methoxy-2-methylphenyl)-3-pyridinyl]methanone has a molecular weight of 355.44 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)-4-hydroxypiperidin-1-yl]-[5-(4-methoxy-2-methylphenyl)-3-pyridinyl]methanone is sourced from PubChem (CID 138057111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).