(6-methoxy-3-pyridinyl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone

C16H23N3O2 — CID 46975635

IUPAC(6-methoxy-3-pyridinyl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone
SMILESCOc1ccc(C(=O)N2CCCC(N3CCCC3)C2)cn1
InChIInChI=1S/C16H23N3O2/c1-21-15-7-6-13(11-17-15)16(20)19-10-4-5-14(12-19)18-8-2-3-9-18/h6-7,11,14H,2-5,8-10,12H2,1H3
InChIKeyKKPKFIYKTHWUAD-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.79
Rot. Bonds3

About (6-methoxy-3-pyridinyl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone

(6-methoxy-3-pyridinyl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone (PubChem CID 46975635) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is (6-methoxy-3-pyridinyl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(6-methoxy-3-pyridinyl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone
PubChem CID46975635
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name(6-methoxy-3-pyridinyl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone
SMILESCOc1ccc(C(=O)N2CCCC(N3CCCC3)C2)cn1
InChIInChI=1S/C16H23N3O2/c1-21-15-7-6-13(11-17-15)16(20)19-10-4-5-14(12-19)18-8-2-3-9-18/h6-7,11,14H,2-5,8-10,12H2,1H3
InChIKeyKKPKFIYKTHWUAD-UHFFFAOYSA-N
XLogP1.79
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S)-3-aminopiperidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 129493895
1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl-(6-fluoro-3-pyridinyl)methanone
CID 63980337
[(4R)-4-hydroxyazepan-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 124757534
[(3R)-3-aminopyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 129493227
[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 79410382
(6-methoxy-3-pyridinyl)-[3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]methanone
CID 90652589
[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 129367707
1-(6-methoxypyridine-3-carbonyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 47067016
[(6R,9aS)-6-(4-methoxy-2,3-dimethylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-(6-methoxy-3-pyridinyl)methanone
CID 58928385
[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 96500930
(6-amino-3-pyridinyl)-[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]methanone
CID 95026394
[5-[3-(4-cyclobutyl-1,4-diazepane-1-carbonyl)azetidine-1-carbonyl]-2-pyridinyl] acetate
CID 175270953

Frequently Asked Questions

What is the IUPAC name of (6-methoxy-3-pyridinyl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The IUPAC name of (6-methoxy-3-pyridinyl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone (CID 46975635) is (6-methoxy-3-pyridinyl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (6-methoxy-3-pyridinyl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The canonical SMILES for (6-methoxy-3-pyridinyl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone is COc1ccc(C(=O)N2CCCC(N3CCCC3)C2)cn1.
What is the InChIKey of (6-methoxy-3-pyridinyl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The InChIKey is KKPKFIYKTHWUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-21-15-7-6-13(11-17-15)16(20)19-10-4-5-14(12-19)18-8-2-3-9-18/h6-7,11,14H,2-5,8-10,12H2,1H3.
What are the key properties of (6-methoxy-3-pyridinyl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone?
(6-methoxy-3-pyridinyl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone has a molecular weight of 289.38 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxy-3-pyridinyl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 46975635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).