[(3S)-3-[benzyl(methyl)amino]piperidin-1-yl]-(2,6-dimethoxy-3-pyridinyl)methanone

C21H27N3O3 — CID 25459630

IUPAC[(3S)-3-[benzyl(methyl)amino]piperidin-1-yl]-(2,6-dimethoxy-3-pyridinyl)methanone
SMILESCOc1ccc(C(=O)N2CCC[C@H](N(C)Cc3ccccc3)C2)c(OC)n1
InChIInChI=1S/C21H27N3O3/c1-23(14-16-8-5-4-6-9-16)17-10-7-13-24(15-17)21(25)18-11-12-19(26-2)22-20(18)27-3/h4-6,8-9,11-12,17H,7,10,13-15H2,1-3H3/t17-/m0/s1
InChIKeySXPNOAZLFWSBNW-KRWDZBQOSA-N
MW369.47 g/mol
LogP2.84
Rot. Bonds6

About [(3S)-3-[benzyl(methyl)amino]piperidin-1-yl]-(2,6-dimethoxy-3-pyridinyl)methanone

[(3S)-3-[benzyl(methyl)amino]piperidin-1-yl]-(2,6-dimethoxy-3-pyridinyl)methanone (PubChem CID 25459630) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is [(3S)-3-[benzyl(methyl)amino]piperidin-1-yl]-(2,6-dimethoxy-3-pyridinyl)methanone.

Molecular Properties

Compound Name[(3S)-3-[benzyl(methyl)amino]piperidin-1-yl]-(2,6-dimethoxy-3-pyridinyl)methanone
PubChem CID25459630
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name[(3S)-3-[benzyl(methyl)amino]piperidin-1-yl]-(2,6-dimethoxy-3-pyridinyl)methanone
SMILESCOc1ccc(C(=O)N2CCC[C@H](N(C)Cc3ccccc3)C2)c(OC)n1
InChIInChI=1S/C21H27N3O3/c1-23(14-16-8-5-4-6-9-16)17-10-7-13-24(15-17)21(25)18-11-12-19(26-2)22-20(18)27-3/h4-6,8-9,11-12,17H,7,10,13-15H2,1-3H3/t17-/m0/s1
InChIKeySXPNOAZLFWSBNW-KRWDZBQOSA-N
XLogP2.84
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[benzyl(methyl)amino]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 45206682
2-amino-1-[(3R)-3-[benzyl(methyl)amino]piperidin-1-yl]ethanone
CID 66567107
[(3R)-3-[benzyl(methyl)amino]piperidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 25455997
[3-[benzyl(methyl)amino]piperidin-1-yl]-(1-oxidopyridin-1-ium-4-yl)methanone
CID 45204558
(2,6-dimethoxy-3-pyridinyl)-[3-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 53192131
1-[(3R)-3-[benzyl(methyl)amino]piperidin-1-yl]but-2-yn-1-one
CID 42508292
[3-[benzyl(methyl)amino]piperidin-1-yl]-(1-benzylpyrazol-4-yl)methanone
CID 45220798
(3R,4S)-3-benzyl-1-(2,6-dimethoxypyridine-3-carbonyl)-4-hydroxypiperidine-3-carboxylic acid
CID 164699824
5-[3-[benzyl(methyl)amino]piperidine-1-carbonyl]-4,6-dimethylpyran-2-one
CID 45217908
(2,6-dimethoxy-3-pyridinyl)-[(3S)-3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone
CID 126439973
[3-[benzyl(methyl)amino]piperidin-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone
CID 45245379
1-[3-[benzyl(methyl)amino]piperidin-1-yl]-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]ethanone
CID 45244535

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[benzyl(methyl)amino]piperidin-1-yl]-(2,6-dimethoxy-3-pyridinyl)methanone?
The IUPAC name of [(3S)-3-[benzyl(methyl)amino]piperidin-1-yl]-(2,6-dimethoxy-3-pyridinyl)methanone (CID 25459630) is [(3S)-3-[benzyl(methyl)amino]piperidin-1-yl]-(2,6-dimethoxy-3-pyridinyl)methanone.
What is the SMILES notation for [(3S)-3-[benzyl(methyl)amino]piperidin-1-yl]-(2,6-dimethoxy-3-pyridinyl)methanone?
The canonical SMILES for [(3S)-3-[benzyl(methyl)amino]piperidin-1-yl]-(2,6-dimethoxy-3-pyridinyl)methanone is COc1ccc(C(=O)N2CCC[C@H](N(C)Cc3ccccc3)C2)c(OC)n1.
What is the InChIKey of [(3S)-3-[benzyl(methyl)amino]piperidin-1-yl]-(2,6-dimethoxy-3-pyridinyl)methanone?
The InChIKey is SXPNOAZLFWSBNW-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-23(14-16-8-5-4-6-9-16)17-10-7-13-24(15-17)21(25)18-11-12-19(26-2)22-20(18)27-3/h4-6,8-9,11-12,17H,7,10,13-15H2,1-3H3/t17-/m0/s1.
What are the key properties of [(3S)-3-[benzyl(methyl)amino]piperidin-1-yl]-(2,6-dimethoxy-3-pyridinyl)methanone?
[(3S)-3-[benzyl(methyl)amino]piperidin-1-yl]-(2,6-dimethoxy-3-pyridinyl)methanone has a molecular weight of 369.47 g/mol, XLogP of 2.84, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[benzyl(methyl)amino]piperidin-1-yl]-(2,6-dimethoxy-3-pyridinyl)methanone is sourced from PubChem (CID 25459630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).