[4-(azetidin-3-yl)piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone

C14H20N4O2 — CID 66201560

IUPAC[4-(azetidin-3-yl)piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone
SMILESCOc1ncccc1C(=O)N1CCN(C2CNC2)CC1
InChIInChI=1S/C14H20N4O2/c1-20-13-12(3-2-4-16-13)14(19)18-7-5-17(6-8-18)11-9-15-10-11/h2-4,11,15H,5-10H2,1H3
InChIKeyYBGBECFXLNKIEN-UHFFFAOYSA-N
MW276.34 g/mol
LogP-0.18
Rot. Bonds3

About [4-(azetidin-3-yl)piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone

[4-(azetidin-3-yl)piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone (PubChem CID 66201560) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is [4-(azetidin-3-yl)piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone.

Molecular Properties

Compound Name[4-(azetidin-3-yl)piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone
PubChem CID66201560
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name[4-(azetidin-3-yl)piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone
SMILESCOc1ncccc1C(=O)N1CCN(C2CNC2)CC1
InChIInChI=1S/C14H20N4O2/c1-20-13-12(3-2-4-16-13)14(19)18-7-5-17(6-8-18)11-9-15-10-11/h2-4,11,15H,5-10H2,1H3
InChIKeyYBGBECFXLNKIEN-UHFFFAOYSA-N
XLogP-0.18
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 91792821
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(2-methoxy-3-pyridinyl)methanone
CID 66211207
(2-methoxy-3-pyridinyl)-(4-methylpiperidin-1-yl)methanone
CID 110849089
(4-cyclopropylpiperazin-1-yl)-[2-(2-methoxyethoxy)-3-pyridinyl]methanone
CID 86853356
4-(2-methoxypyridine-3-carbonyl)piperazine-1-sulfonamide
CID 62876001
(4,4-difluoropiperidin-1-yl)-(2-methoxy-3-pyridinyl)methanone
CID 121184561
2-[4-(2-methoxypyridine-3-carbonyl)piperazin-1-yl]propanoic acid
CID 62317950
1-(2-methoxypyridine-3-carbonyl)piperazine-2-carbonitrile
CID 79086365
[4-(1-aminopropan-2-yl)piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 63337490
[4-(benzenesulfonyl)piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 55559458
[4-(azetidin-3-yl)piperazin-1-yl]-(2-hydroxy-3-methylphenyl)methanone
CID 66203300
2-[4-(2-methoxypyridine-3-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 39488062

Frequently Asked Questions

What is the IUPAC name of [4-(azetidin-3-yl)piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone?
The IUPAC name of [4-(azetidin-3-yl)piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone (CID 66201560) is [4-(azetidin-3-yl)piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone.
What is the SMILES notation for [4-(azetidin-3-yl)piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone?
The canonical SMILES for [4-(azetidin-3-yl)piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone is COc1ncccc1C(=O)N1CCN(C2CNC2)CC1.
What is the InChIKey of [4-(azetidin-3-yl)piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone?
The InChIKey is YBGBECFXLNKIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-20-13-12(3-2-4-16-13)14(19)18-7-5-17(6-8-18)11-9-15-10-11/h2-4,11,15H,5-10H2,1H3.
What are the key properties of [4-(azetidin-3-yl)piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone?
[4-(azetidin-3-yl)piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone has a molecular weight of 276.34 g/mol, XLogP of -0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(azetidin-3-yl)piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone is sourced from PubChem (CID 66201560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).