[6-(6-hydroxyhexan-3-ylamino)-3-pyridinyl]-[(3S,4R)-3-methoxy-4-methylpiperidin-1-yl]methanone

C19H31N3O3 — CID 166329683

IUPAC[6-(6-hydroxyhexan-3-ylamino)-3-pyridinyl]-[(3S,4R)-3-methoxy-4-methylpiperidin-1-yl]methanone
SMILESCCC(CCCO)Nc1ccc(C(=O)N2CC[C@@H](C)[C@H](OC)C2)cn1
InChIInChI=1S/C19H31N3O3/c1-4-16(6-5-11-23)21-18-8-7-15(12-20-18)19(24)22-10-9-14(2)17(13-22)25-3/h7-8,12,14,16-17,23H,4-6,9-11,13H2,1-3H3,(H,20,21)/t14-,16?,17-/m1/s1
InChIKeyBGSBAMZBBQABCO-NZIKIWFDSA-N
MW349.48 g/mol
LogP2.54
Rot. Bonds8

About [6-(6-hydroxyhexan-3-ylamino)-3-pyridinyl]-[(3S,4R)-3-methoxy-4-methylpiperidin-1-yl]methanone

[6-(6-hydroxyhexan-3-ylamino)-3-pyridinyl]-[(3S,4R)-3-methoxy-4-methylpiperidin-1-yl]methanone (PubChem CID 166329683) has the molecular formula C19H31N3O3 and a molecular weight of 349.48 g/mol. Its IUPAC name is [6-(6-hydroxyhexan-3-ylamino)-3-pyridinyl]-[(3S,4R)-3-methoxy-4-methylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name[6-(6-hydroxyhexan-3-ylamino)-3-pyridinyl]-[(3S,4R)-3-methoxy-4-methylpiperidin-1-yl]methanone
PubChem CID166329683
Molecular FormulaC19H31N3O3
Molecular Weight349.48 g/mol
Exact Mass349.24
IUPAC Name[6-(6-hydroxyhexan-3-ylamino)-3-pyridinyl]-[(3S,4R)-3-methoxy-4-methylpiperidin-1-yl]methanone
SMILESCCC(CCCO)Nc1ccc(C(=O)N2CC[C@@H](C)[C@H](OC)C2)cn1
InChIInChI=1S/C19H31N3O3/c1-4-16(6-5-11-23)21-18-8-7-15(12-20-18)19(24)22-10-9-14(2)17(13-22)25-3/h7-8,12,14,16-17,23H,4-6,9-11,13H2,1-3H3,(H,20,21)/t14-,16?,17-/m1/s1
InChIKeyBGSBAMZBBQABCO-NZIKIWFDSA-N
XLogP2.54
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [6-(6-hydroxyhexan-3-ylamino)-3-pyridinyl]-[(3S,4R)-3-methoxy-4-methylpiperidin-1-yl]methanone with MolForge

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Related Compounds

[6-(1-hydroxybutan-2-ylamino)-3-pyridinyl]-[4-(3-methylpiperidin-1-yl)piperidin-1-yl]methanone
CID 123582810
[6-(1-methoxybutan-2-ylamino)-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
CID 56742699
[6-(3-methoxypropylamino)-3-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone
CID 146153252
1-[[1-[6-[[(2S)-1-methoxybutan-2-yl]amino]pyridine-3-carbonyl]piperidin-4-yl]methyl]pyrrolidin-2-one
CID 95205069
[6-(ethylamino)-3-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone
CID 62180267
(2S,3S)-3-methyl-2-[[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]amino]pentanoic acid
CID 122050434
(6-hydrazinyl-3-pyridinyl)-(3-methylpyrrolidin-1-yl)methanone
CID 62237527
[6-(ethylamino)-3-pyridinyl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112628648
4-[[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]amino]-5-phenylpentanoic acid
CID 122064237
[6-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]amino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 133346797
[(3R,4R)-3-methoxy-4-methylpiperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 124619868
(3-bromo-4-fluorophenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone
CID 102677604

Frequently Asked Questions

What is the IUPAC name of [6-(6-hydroxyhexan-3-ylamino)-3-pyridinyl]-[(3S,4R)-3-methoxy-4-methylpiperidin-1-yl]methanone?
The IUPAC name of [6-(6-hydroxyhexan-3-ylamino)-3-pyridinyl]-[(3S,4R)-3-methoxy-4-methylpiperidin-1-yl]methanone (CID 166329683) is [6-(6-hydroxyhexan-3-ylamino)-3-pyridinyl]-[(3S,4R)-3-methoxy-4-methylpiperidin-1-yl]methanone.
What is the SMILES notation for [6-(6-hydroxyhexan-3-ylamino)-3-pyridinyl]-[(3S,4R)-3-methoxy-4-methylpiperidin-1-yl]methanone?
The canonical SMILES for [6-(6-hydroxyhexan-3-ylamino)-3-pyridinyl]-[(3S,4R)-3-methoxy-4-methylpiperidin-1-yl]methanone is CCC(CCCO)Nc1ccc(C(=O)N2CC[C@@H](C)[C@H](OC)C2)cn1.
What is the InChIKey of [6-(6-hydroxyhexan-3-ylamino)-3-pyridinyl]-[(3S,4R)-3-methoxy-4-methylpiperidin-1-yl]methanone?
The InChIKey is BGSBAMZBBQABCO-NZIKIWFDSA-N. The full InChI is InChI=1S/C19H31N3O3/c1-4-16(6-5-11-23)21-18-8-7-15(12-20-18)19(24)22-10-9-14(2)17(13-22)25-3/h7-8,12,14,16-17,23H,4-6,9-11,13H2,1-3H3,(H,20,21)/t14-,16?,17-/m1/s1.
What are the key properties of [6-(6-hydroxyhexan-3-ylamino)-3-pyridinyl]-[(3S,4R)-3-methoxy-4-methylpiperidin-1-yl]methanone?
[6-(6-hydroxyhexan-3-ylamino)-3-pyridinyl]-[(3S,4R)-3-methoxy-4-methylpiperidin-1-yl]methanone has a molecular weight of 349.48 g/mol, XLogP of 2.54, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(6-hydroxyhexan-3-ylamino)-3-pyridinyl]-[(3S,4R)-3-methoxy-4-methylpiperidin-1-yl]methanone is sourced from PubChem (CID 166329683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).