(6-methoxy-3-pyridinyl)-[3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]methanone

C18H28N4O2 — CID 90652589

IUPAC(6-methoxy-3-pyridinyl)-[3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCCC(CN3CCN(C)CC3)C2)cn1
InChIInChI=1S/C18H28N4O2/c1-20-8-10-21(11-9-20)13-15-4-3-7-22(14-15)18(23)16-5-6-17(24-2)19-12-16/h5-6,12,15H,3-4,7-11,13-14H2,1-2H3
InChIKeyFIZIYJDCFDRHPN-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.19
Rot. Bonds4

About (6-methoxy-3-pyridinyl)-[3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]methanone

(6-methoxy-3-pyridinyl)-[3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]methanone (PubChem CID 90652589) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is (6-methoxy-3-pyridinyl)-[3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(6-methoxy-3-pyridinyl)-[3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]methanone
PubChem CID90652589
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name(6-methoxy-3-pyridinyl)-[3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCCC(CN3CCN(C)CC3)C2)cn1
InChIInChI=1S/C18H28N4O2/c1-20-8-10-21(11-9-20)13-15-4-3-7-22(14-15)18(23)16-5-6-17(24-2)19-12-16/h5-6,12,15H,3-4,7-11,13-14H2,1-2H3
InChIKeyFIZIYJDCFDRHPN-UHFFFAOYSA-N
XLogP1.19
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (6-methoxy-3-pyridinyl)-[3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]methanone with MolForge

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Related Compounds

[(3S)-3-aminopiperidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 129493895
[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 129367707
[(3R)-3-aminopyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 129493227
(6-methoxy-3-pyridinyl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 46975635
[(4R)-4-hydroxyazepan-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 124757534
[6-[(2S)-1-(6-methoxypyridine-3-carbonyl)pyrrolidin-2-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 92623621
2-[3-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carbonyl]benzonitrile
CID 90648862
1-(6-methoxypyridine-3-carbonyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 47067016
3-cyclopentyl-1-[4-(6-methoxypyridine-3-carbonyl)piperazin-1-yl]propan-1-one
CID 134021042
[(2R)-2,4-dimethylpiperazin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 97094124
[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 79410382
[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 95768051

Frequently Asked Questions

What is the IUPAC name of (6-methoxy-3-pyridinyl)-[3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]methanone?
The IUPAC name of (6-methoxy-3-pyridinyl)-[3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]methanone (CID 90652589) is (6-methoxy-3-pyridinyl)-[3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (6-methoxy-3-pyridinyl)-[3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for (6-methoxy-3-pyridinyl)-[3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]methanone is COc1ccc(C(=O)N2CCCC(CN3CCN(C)CC3)C2)cn1.
What is the InChIKey of (6-methoxy-3-pyridinyl)-[3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]methanone?
The InChIKey is FIZIYJDCFDRHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-20-8-10-21(11-9-20)13-15-4-3-7-22(14-15)18(23)16-5-6-17(24-2)19-12-16/h5-6,12,15H,3-4,7-11,13-14H2,1-2H3.
What are the key properties of (6-methoxy-3-pyridinyl)-[3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]methanone?
(6-methoxy-3-pyridinyl)-[3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]methanone has a molecular weight of 332.45 g/mol, XLogP of 1.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxy-3-pyridinyl)-[3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 90652589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).