[2-[[(3S,4R)-4-methoxypiperidin-3-yl]amino]-3-pyridinyl]-pyrrolidin-1-ylmethanone;dihydrochloride

C16H26Cl2N4O2 — CID 154916294

IUPAC[2-[[(3S,4R)-4-methoxypiperidin-3-yl]amino]-3-pyridinyl]-pyrrolidin-1-ylmethanone;dihydrochloride
SMILESCO[C@@H]1CCNC[C@@H]1Nc1ncccc1C(=O)N1CCCC1.Cl.Cl
InChIInChI=1S/C16H24N4O2.2ClH/c1-22-14-6-8-17-11-13(14)19-15-12(5-4-7-18-15)16(21)20-9-2-3-10-20;;/h4-5,7,13-14,17H,2-3,6,8-11H2,1H3,(H,18,19);2*1H/t13-,14+;;/m0../s1
InChIKeyOMEYOTYJLOHRJV-WICJZZOFSA-N
MW377.32 g/mol
LogP1.95
Rot. Bonds4

About [2-[[(3S,4R)-4-methoxypiperidin-3-yl]amino]-3-pyridinyl]-pyrrolidin-1-ylmethanone;dihydrochloride

[2-[[(3S,4R)-4-methoxypiperidin-3-yl]amino]-3-pyridinyl]-pyrrolidin-1-ylmethanone;dihydrochloride (PubChem CID 154916294) has the molecular formula C16H26Cl2N4O2 and a molecular weight of 377.32 g/mol. Its IUPAC name is [2-[[(3S,4R)-4-methoxypiperidin-3-yl]amino]-3-pyridinyl]-pyrrolidin-1-ylmethanone;dihydrochloride.

Molecular Properties

Compound Name[2-[[(3S,4R)-4-methoxypiperidin-3-yl]amino]-3-pyridinyl]-pyrrolidin-1-ylmethanone;dihydrochloride
PubChem CID154916294
Molecular FormulaC16H26Cl2N4O2
Molecular Weight377.32 g/mol
Exact Mass376.14
IUPAC Name[2-[[(3S,4R)-4-methoxypiperidin-3-yl]amino]-3-pyridinyl]-pyrrolidin-1-ylmethanone;dihydrochloride
SMILESCO[C@@H]1CCNC[C@@H]1Nc1ncccc1C(=O)N1CCCC1.Cl.Cl
InChIInChI=1S/C16H24N4O2.2ClH/c1-22-14-6-8-17-11-13(14)19-15-12(5-4-7-18-15)16(21)20-9-2-3-10-20;;/h4-5,7,13-14,17H,2-3,6,8-11H2,1H3,(H,18,19);2*1H/t13-,14+;;/m0../s1
InChIKeyOMEYOTYJLOHRJV-WICJZZOFSA-N
XLogP1.95
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.32
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-[[(3S,4R)-4-methoxypiperidin-3-yl]amino]-3-pyridinyl]-pyrrolidin-1-ylmethanone;dihydrochloride with MolForge

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Related Compounds

[2-(1-oxa-8-azaspiro[4.5]decan-3-ylamino)-3-pyridinyl]-pyrrolidin-1-ylmethanone;dihydrochloride
CID 154916328
propan-2-yl 4-[[3-(piperidine-1-carbonyl)-2-pyridinyl]amino]piperidine-1-carboxylate
CID 133352908
[2-(methylamino)-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 62172050
[(4R)-4-methylazepan-1-yl]-[2-(propan-2-ylamino)-3-pyridinyl]methanone
CID 96502046
(2-hydrazinyl-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone
CID 62249185
[2-[[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]amino]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 154798355
1-[2-(propan-2-ylamino)pyridine-3-carbonyl]piperidine-4-carboxylic acid
CID 119349576
N,N-dimethyl-2-[[(3R)-pyrrolidin-3-yl]amino]pyridine-3-carboxamide
CID 122441446
[4-(hydroxymethyl)piperidin-1-yl]-[2-(methylamino)-3-pyridinyl]methanone
CID 62185539
(2-hydrazinyl-3-pyridinyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 62234639
[2-[2-(3-methylpiperidin-1-yl)propylamino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133328244
[2-(3,4-dimethoxyanilino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 1431769

Frequently Asked Questions

What is the IUPAC name of [2-[[(3S,4R)-4-methoxypiperidin-3-yl]amino]-3-pyridinyl]-pyrrolidin-1-ylmethanone;dihydrochloride?
The IUPAC name of [2-[[(3S,4R)-4-methoxypiperidin-3-yl]amino]-3-pyridinyl]-pyrrolidin-1-ylmethanone;dihydrochloride (CID 154916294) is [2-[[(3S,4R)-4-methoxypiperidin-3-yl]amino]-3-pyridinyl]-pyrrolidin-1-ylmethanone;dihydrochloride.
What is the SMILES notation for [2-[[(3S,4R)-4-methoxypiperidin-3-yl]amino]-3-pyridinyl]-pyrrolidin-1-ylmethanone;dihydrochloride?
The canonical SMILES for [2-[[(3S,4R)-4-methoxypiperidin-3-yl]amino]-3-pyridinyl]-pyrrolidin-1-ylmethanone;dihydrochloride is CO[C@@H]1CCNC[C@@H]1Nc1ncccc1C(=O)N1CCCC1.Cl.Cl.
What is the InChIKey of [2-[[(3S,4R)-4-methoxypiperidin-3-yl]amino]-3-pyridinyl]-pyrrolidin-1-ylmethanone;dihydrochloride?
The InChIKey is OMEYOTYJLOHRJV-WICJZZOFSA-N. The full InChI is InChI=1S/C16H24N4O2.2ClH/c1-22-14-6-8-17-11-13(14)19-15-12(5-4-7-18-15)16(21)20-9-2-3-10-20;;/h4-5,7,13-14,17H,2-3,6,8-11H2,1H3,(H,18,19);2*1H/t13-,14+;;/m0../s1.
What are the key properties of [2-[[(3S,4R)-4-methoxypiperidin-3-yl]amino]-3-pyridinyl]-pyrrolidin-1-ylmethanone;dihydrochloride?
[2-[[(3S,4R)-4-methoxypiperidin-3-yl]amino]-3-pyridinyl]-pyrrolidin-1-ylmethanone;dihydrochloride has a molecular weight of 377.32 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(3S,4R)-4-methoxypiperidin-3-yl]amino]-3-pyridinyl]-pyrrolidin-1-ylmethanone;dihydrochloride is sourced from PubChem (CID 154916294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).