[5-chloro-2-(methylamino)-4-pyridinyl]-(3-propoxypiperidin-1-yl)methanone

C15H22ClN3O2 — CID 114923201

IUPAC[5-chloro-2-(methylamino)-4-pyridinyl]-(3-propoxypiperidin-1-yl)methanone
SMILESCCCOC1CCCN(C(=O)c2cc(NC)ncc2Cl)C1
InChIInChI=1S/C15H22ClN3O2/c1-3-7-21-11-5-4-6-19(10-11)15(20)12-8-14(17-2)18-9-13(12)16/h8-9,11H,3-7,10H2,1-2H3,(H,17,18)
InChIKeySFEKPUFWMAYKOD-UHFFFAOYSA-N
MW311.81 g/mol
LogP2.81
Rot. Bonds5

About [5-chloro-2-(methylamino)-4-pyridinyl]-(3-propoxypiperidin-1-yl)methanone

[5-chloro-2-(methylamino)-4-pyridinyl]-(3-propoxypiperidin-1-yl)methanone (PubChem CID 114923201) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is [5-chloro-2-(methylamino)-4-pyridinyl]-(3-propoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-chloro-2-(methylamino)-4-pyridinyl]-(3-propoxypiperidin-1-yl)methanone
PubChem CID114923201
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC Name[5-chloro-2-(methylamino)-4-pyridinyl]-(3-propoxypiperidin-1-yl)methanone
SMILESCCCOC1CCCN(C(=O)c2cc(NC)ncc2Cl)C1
InChIInChI=1S/C15H22ClN3O2/c1-3-7-21-11-5-4-6-19(10-11)15(20)12-8-14(17-2)18-9-13(12)16/h8-9,11H,3-7,10H2,1-2H3,(H,17,18)
InChIKeySFEKPUFWMAYKOD-UHFFFAOYSA-N
XLogP2.81
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-methyl-4-(methylamino)-3-pyridinyl]-(3-propoxypiperidin-1-yl)methanone
CID 81238498
[5-chloro-2-(methylamino)-4-pyridinyl]-(4-propan-2-ylazepan-1-yl)methanone
CID 114923746
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[5-chloro-2-(methylamino)-4-pyridinyl]methanone
CID 114924253
[5-chloro-2-(methylamino)-4-pyridinyl]-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 114923470
(4-chloro-1-ethylpyrazol-5-yl)-[(3R)-3-propoxypiperidin-1-yl]methanone
CID 125156471
(2-amino-4-chlorophenyl)-(3-propoxypiperidin-1-yl)methanone
CID 61170144
[5-chloro-2-(ethylamino)-4-pyridinyl]-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 106588815
2-(phenoxymethyl)-5-[(3R)-3-propoxypiperidine-1-carbonyl]-1H-pyrimidin-6-one
CID 97120908
(2-methyl-5-sulfanylphenyl)-(3-propoxypiperidin-1-yl)methanone
CID 107026150
(4-chlorophenyl)-(3-propoxypiperidin-1-yl)methanone
CID 46029094
5-[(3R)-3-propoxypiperidine-1-carbonyl]-1H-pyrazin-2-one
CID 99983565
[5-chloro-2-(methylamino)-4-pyridinyl]-(2-propylpiperidin-1-yl)methanone
CID 114924337

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(methylamino)-4-pyridinyl]-(3-propoxypiperidin-1-yl)methanone?
The IUPAC name of [5-chloro-2-(methylamino)-4-pyridinyl]-(3-propoxypiperidin-1-yl)methanone (CID 114923201) is [5-chloro-2-(methylamino)-4-pyridinyl]-(3-propoxypiperidin-1-yl)methanone.
What is the SMILES notation for [5-chloro-2-(methylamino)-4-pyridinyl]-(3-propoxypiperidin-1-yl)methanone?
The canonical SMILES for [5-chloro-2-(methylamino)-4-pyridinyl]-(3-propoxypiperidin-1-yl)methanone is CCCOC1CCCN(C(=O)c2cc(NC)ncc2Cl)C1.
What is the InChIKey of [5-chloro-2-(methylamino)-4-pyridinyl]-(3-propoxypiperidin-1-yl)methanone?
The InChIKey is SFEKPUFWMAYKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O2/c1-3-7-21-11-5-4-6-19(10-11)15(20)12-8-14(17-2)18-9-13(12)16/h8-9,11H,3-7,10H2,1-2H3,(H,17,18).
What are the key properties of [5-chloro-2-(methylamino)-4-pyridinyl]-(3-propoxypiperidin-1-yl)methanone?
[5-chloro-2-(methylamino)-4-pyridinyl]-(3-propoxypiperidin-1-yl)methanone has a molecular weight of 311.81 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-(methylamino)-4-pyridinyl]-(3-propoxypiperidin-1-yl)methanone is sourced from PubChem (CID 114923201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).