[2-[(4-methoxyoxan-4-yl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone

C18H27N3O3 — CID 133400100

IUPAC[2-[(4-methoxyoxan-4-yl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone
SMILESCOC1(CNc2ncccc2C(=O)N2CCCCC2)CCOCC1
InChIInChI=1S/C18H27N3O3/c1-23-18(7-12-24-13-8-18)14-20-16-15(6-5-9-19-16)17(22)21-10-3-2-4-11-21/h5-6,9H,2-4,7-8,10-14H2,1H3,(H,19,20)
InChIKeyVZSFTZZGUUFYNC-UHFFFAOYSA-N
MW333.43 g/mol
LogP2.32
Rot. Bonds5

About [2-[(4-methoxyoxan-4-yl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone

[2-[(4-methoxyoxan-4-yl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone (PubChem CID 133400100) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is [2-[(4-methoxyoxan-4-yl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[2-[(4-methoxyoxan-4-yl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone
PubChem CID133400100
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name[2-[(4-methoxyoxan-4-yl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone
SMILESCOC1(CNc2ncccc2C(=O)N2CCCCC2)CCOCC1
InChIInChI=1S/C18H27N3O3/c1-23-18(7-12-24-13-8-18)14-20-16-15(6-5-9-19-16)17(22)21-10-3-2-4-11-21/h5-6,9H,2-4,7-8,10-14H2,1H3,(H,19,20)
InChIKeyVZSFTZZGUUFYNC-UHFFFAOYSA-N
XLogP2.32
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133496686
[2-[(2-ethylsulfanyl-1-hydroxycyclobutyl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133357871
2-(ethylamino)-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-3-carboxamide
CID 104765708
[2-[(2-hydroxy-2,3-dimethylpentyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133352672
2-[[3-(piperidine-1-carbonyl)-2-pyridinyl]amino]-N-propylacetamide
CID 133383039
2-[(4-methyloxan-4-yl)methylamino]pyridine-3-carboxamide
CID 113253039
3-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]pyridin-2-amine
CID 104705532
[2-[(4-methylsulfonylmorpholin-2-yl)methylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 134709868
(2-anilino-3-pyridinyl)-morpholin-4-ylmethanone
CID 1440870
[2-(ethylamino)-3-pyridinyl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 62187064
[2-(ethylamino)-3-pyridinyl]-(4-ethyl-4-methylpiperidin-1-yl)methanone
CID 63162177
N-cyclohexyl-3-[[3-(pyrrolidine-1-carbonyl)-2-pyridinyl]amino]propanamide
CID 135089182

Frequently Asked Questions

What is the IUPAC name of [2-[(4-methoxyoxan-4-yl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone?
The IUPAC name of [2-[(4-methoxyoxan-4-yl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone (CID 133400100) is [2-[(4-methoxyoxan-4-yl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [2-[(4-methoxyoxan-4-yl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone?
The canonical SMILES for [2-[(4-methoxyoxan-4-yl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone is COC1(CNc2ncccc2C(=O)N2CCCCC2)CCOCC1.
What is the InChIKey of [2-[(4-methoxyoxan-4-yl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone?
The InChIKey is VZSFTZZGUUFYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-23-18(7-12-24-13-8-18)14-20-16-15(6-5-9-19-16)17(22)21-10-3-2-4-11-21/h5-6,9H,2-4,7-8,10-14H2,1H3,(H,19,20).
What are the key properties of [2-[(4-methoxyoxan-4-yl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone?
[2-[(4-methoxyoxan-4-yl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone has a molecular weight of 333.43 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-methoxyoxan-4-yl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 133400100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).