[6-[(3-hydroxy-3-methylbutyl)-methylamino]-3-pyridinyl]-[(3S)-3-(methoxymethyl)piperidin-1-yl]methanone

C19H31N3O3 — CID 95200791

IUPAC[6-[(3-hydroxy-3-methylbutyl)-methylamino]-3-pyridinyl]-[(3S)-3-(methoxymethyl)piperidin-1-yl]methanone
SMILESCOC[C@H]1CCCN(C(=O)c2ccc(N(C)CCC(C)(C)O)nc2)C1
InChIInChI=1S/C19H31N3O3/c1-19(2,24)9-11-21(3)17-8-7-16(12-20-17)18(23)22-10-5-6-15(13-22)14-25-4/h7-8,12,15,24H,5-6,9-11,13-14H2,1-4H3/t15-/m0/s1
InChIKeyFAZZWEIQYKGUNF-HNNXBMFYSA-N
MW349.48 g/mol
LogP2.18
Rot. Bonds7

About [6-[(3-hydroxy-3-methylbutyl)-methylamino]-3-pyridinyl]-[(3S)-3-(methoxymethyl)piperidin-1-yl]methanone

[6-[(3-hydroxy-3-methylbutyl)-methylamino]-3-pyridinyl]-[(3S)-3-(methoxymethyl)piperidin-1-yl]methanone (PubChem CID 95200791) has the molecular formula C19H31N3O3 and a molecular weight of 349.48 g/mol. Its IUPAC name is [6-[(3-hydroxy-3-methylbutyl)-methylamino]-3-pyridinyl]-[(3S)-3-(methoxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[6-[(3-hydroxy-3-methylbutyl)-methylamino]-3-pyridinyl]-[(3S)-3-(methoxymethyl)piperidin-1-yl]methanone
PubChem CID95200791
Molecular FormulaC19H31N3O3
Molecular Weight349.48 g/mol
Exact Mass349.24
IUPAC Name[6-[(3-hydroxy-3-methylbutyl)-methylamino]-3-pyridinyl]-[(3S)-3-(methoxymethyl)piperidin-1-yl]methanone
SMILESCOC[C@H]1CCCN(C(=O)c2ccc(N(C)CCC(C)(C)O)nc2)C1
InChIInChI=1S/C19H31N3O3/c1-19(2,24)9-11-21(3)17-8-7-16(12-20-17)18(23)22-10-5-6-15(13-22)14-25-4/h7-8,12,15,24H,5-6,9-11,13-14H2,1-4H3/t15-/m0/s1
InChIKeyFAZZWEIQYKGUNF-HNNXBMFYSA-N
XLogP2.18
TPSA65.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [6-[(3-hydroxy-3-methylbutyl)-methylamino]-3-pyridinyl]-[(3S)-3-(methoxymethyl)piperidin-1-yl]methanone with MolForge

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Related Compounds

[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-[(3R)-3-(methoxymethyl)piperidin-1-yl]methanone
CID 28956848
[3-(methoxymethyl)piperidin-1-yl]-[6-[methyl(2-methylprop-2-enyl)amino]-3-pyridinyl]methanone
CID 45231295
[6-[(4-fluorophenyl)methyl-methylamino]-3-pyridinyl]-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 45232084
[(3R)-3-(methoxymethyl)piperidin-1-yl]-[6-[4-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]methanone
CID 28957540
[3-(methoxymethyl)piperidin-1-yl]-(6-morpholin-4-yl-3-pyridinyl)methanone
CID 45232737
[3-(methoxymethyl)piperidin-1-yl]-(4-methylphenyl)methanone
CID 90504931
[(3S)-3-(methoxymethyl)piperidin-1-yl]-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methanone
CID 95188150
5-[3-(methoxymethyl)piperidine-1-carbonyl]pyrazine-2-carboxylic acid
CID 120685568
[(3S)-3-(methoxymethyl)piperidin-1-yl]-[6-[(1-propan-2-ylimidazol-2-yl)methylamino]-3-pyridinyl]methanone
CID 95210050
[(3R)-3-(methoxymethyl)piperidin-1-yl]-[6-[(1-propan-2-ylimidazol-2-yl)methylamino]-3-pyridinyl]methanone
CID 95210051
(3-aminopiperidin-1-yl)-[6-(N-methylanilino)-3-pyridinyl]methanone;dihydrochloride
CID 119381632
(4-hydrazinylphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 106588870

Frequently Asked Questions

What is the IUPAC name of [6-[(3-hydroxy-3-methylbutyl)-methylamino]-3-pyridinyl]-[(3S)-3-(methoxymethyl)piperidin-1-yl]methanone?
The IUPAC name of [6-[(3-hydroxy-3-methylbutyl)-methylamino]-3-pyridinyl]-[(3S)-3-(methoxymethyl)piperidin-1-yl]methanone (CID 95200791) is [6-[(3-hydroxy-3-methylbutyl)-methylamino]-3-pyridinyl]-[(3S)-3-(methoxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [6-[(3-hydroxy-3-methylbutyl)-methylamino]-3-pyridinyl]-[(3S)-3-(methoxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for [6-[(3-hydroxy-3-methylbutyl)-methylamino]-3-pyridinyl]-[(3S)-3-(methoxymethyl)piperidin-1-yl]methanone is COC[C@H]1CCCN(C(=O)c2ccc(N(C)CCC(C)(C)O)nc2)C1.
What is the InChIKey of [6-[(3-hydroxy-3-methylbutyl)-methylamino]-3-pyridinyl]-[(3S)-3-(methoxymethyl)piperidin-1-yl]methanone?
The InChIKey is FAZZWEIQYKGUNF-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H31N3O3/c1-19(2,24)9-11-21(3)17-8-7-16(12-20-17)18(23)22-10-5-6-15(13-22)14-25-4/h7-8,12,15,24H,5-6,9-11,13-14H2,1-4H3/t15-/m0/s1.
What are the key properties of [6-[(3-hydroxy-3-methylbutyl)-methylamino]-3-pyridinyl]-[(3S)-3-(methoxymethyl)piperidin-1-yl]methanone?
[6-[(3-hydroxy-3-methylbutyl)-methylamino]-3-pyridinyl]-[(3S)-3-(methoxymethyl)piperidin-1-yl]methanone has a molecular weight of 349.48 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(3-hydroxy-3-methylbutyl)-methylamino]-3-pyridinyl]-[(3S)-3-(methoxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 95200791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).