[4-[(3-methyl-2-pyridinyl)oxy]piperidin-1-yl]-(4-methyl-1H-pyrrol-3-yl)methanone

C17H21N3O2 — CID 122153292

IUPAC[4-[(3-methyl-2-pyridinyl)oxy]piperidin-1-yl]-(4-methyl-1H-pyrrol-3-yl)methanone
SMILESCc1c[nH]cc1C(=O)N1CCC(Oc2ncccc2C)CC1
InChIInChI=1S/C17H21N3O2/c1-12-4-3-7-19-16(12)22-14-5-8-20(9-6-14)17(21)15-11-18-10-13(15)2/h3-4,7,10-11,14,18H,5-6,8-9H2,1-2H3
InChIKeyZDMOHBVWLBIMEY-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.71
Rot. Bonds3

About [4-[(3-methyl-2-pyridinyl)oxy]piperidin-1-yl]-(4-methyl-1H-pyrrol-3-yl)methanone

[4-[(3-methyl-2-pyridinyl)oxy]piperidin-1-yl]-(4-methyl-1H-pyrrol-3-yl)methanone (PubChem CID 122153292) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is [4-[(3-methyl-2-pyridinyl)oxy]piperidin-1-yl]-(4-methyl-1H-pyrrol-3-yl)methanone.

Molecular Properties

Compound Name[4-[(3-methyl-2-pyridinyl)oxy]piperidin-1-yl]-(4-methyl-1H-pyrrol-3-yl)methanone
PubChem CID122153292
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name[4-[(3-methyl-2-pyridinyl)oxy]piperidin-1-yl]-(4-methyl-1H-pyrrol-3-yl)methanone
SMILESCc1c[nH]cc1C(=O)N1CCC(Oc2ncccc2C)CC1
InChIInChI=1S/C17H21N3O2/c1-12-4-3-7-19-16(12)22-14-5-8-20(9-6-14)17(21)15-11-18-10-13(15)2/h3-4,7,10-11,14,18H,5-6,8-9H2,1-2H3
InChIKeyZDMOHBVWLBIMEY-UHFFFAOYSA-N
XLogP2.71
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-[(3-methyl-2-pyridinyl)oxy]piperidine-1-carbonyl]benzamide
CID 122143623
[4-[(3-chloro-2-pyridinyl)oxy]piperidin-1-yl]-(2,5-dichlorophenyl)methanone
CID 71798834
[4-(1H-imidazol-2-ylmethyl)piperidin-1-yl]-(4-methyl-1H-pyrrol-3-yl)methanone
CID 122153352
3-[4-[(3-methyl-2-pyridinyl)oxy]piperidin-1-yl]pyrrolidin-2-one
CID 126801191
N-ethyl-2-[1-(2-methylbenzoyl)pyrrolidin-3-yl]oxypyridine-3-carboxamide
CID 91914015
[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(2-methyl-3-pyridinyl)methanone
CID 100612049
2-[1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidin-4-yl]oxypyridine-3-carbonitrile
CID 71799026
3-[(3R)-1-(2-methylpyridine-3-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 100755756
2-(3-acetyl-4,5,6,7-tetrahydroindazol-1-yl)-1-[4-[(3-methyl-2-pyridinyl)oxy]piperidin-1-yl]ethanone
CID 146415110
[(3R)-3-[(3-methyl-2-pyridinyl)oxy]piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 130394208
(2-methoxy-3-pyridinyl)-(4-methylpiperidin-1-yl)methanone
CID 110849089
2-[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-4-yl]oxypyridine-3-carbonitrile
CID 72717266

Frequently Asked Questions

What is the IUPAC name of [4-[(3-methyl-2-pyridinyl)oxy]piperidin-1-yl]-(4-methyl-1H-pyrrol-3-yl)methanone?
The IUPAC name of [4-[(3-methyl-2-pyridinyl)oxy]piperidin-1-yl]-(4-methyl-1H-pyrrol-3-yl)methanone (CID 122153292) is [4-[(3-methyl-2-pyridinyl)oxy]piperidin-1-yl]-(4-methyl-1H-pyrrol-3-yl)methanone.
What is the SMILES notation for [4-[(3-methyl-2-pyridinyl)oxy]piperidin-1-yl]-(4-methyl-1H-pyrrol-3-yl)methanone?
The canonical SMILES for [4-[(3-methyl-2-pyridinyl)oxy]piperidin-1-yl]-(4-methyl-1H-pyrrol-3-yl)methanone is Cc1c[nH]cc1C(=O)N1CCC(Oc2ncccc2C)CC1.
What is the InChIKey of [4-[(3-methyl-2-pyridinyl)oxy]piperidin-1-yl]-(4-methyl-1H-pyrrol-3-yl)methanone?
The InChIKey is ZDMOHBVWLBIMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-12-4-3-7-19-16(12)22-14-5-8-20(9-6-14)17(21)15-11-18-10-13(15)2/h3-4,7,10-11,14,18H,5-6,8-9H2,1-2H3.
What are the key properties of [4-[(3-methyl-2-pyridinyl)oxy]piperidin-1-yl]-(4-methyl-1H-pyrrol-3-yl)methanone?
[4-[(3-methyl-2-pyridinyl)oxy]piperidin-1-yl]-(4-methyl-1H-pyrrol-3-yl)methanone has a molecular weight of 299.37 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-methyl-2-pyridinyl)oxy]piperidin-1-yl]-(4-methyl-1H-pyrrol-3-yl)methanone is sourced from PubChem (CID 122153292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).