(6-chloro-2-pyridinyl)-(3-propoxypiperidin-1-yl)methanone

C14H19ClN2O2 — CID 62233136

IUPAC(6-chloro-2-pyridinyl)-(3-propoxypiperidin-1-yl)methanone
SMILESCCCOC1CCCN(C(=O)c2cccc(Cl)n2)C1
InChIInChI=1S/C14H19ClN2O2/c1-2-9-19-11-5-4-8-17(10-11)14(18)12-6-3-7-13(15)16-12/h3,6-7,11H,2,4-5,8-10H2,1H3
InChIKeyZOXLOIKHTCBKGJ-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.77
Rot. Bonds4

About (6-chloro-2-pyridinyl)-(3-propoxypiperidin-1-yl)methanone

(6-chloro-2-pyridinyl)-(3-propoxypiperidin-1-yl)methanone (PubChem CID 62233136) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is (6-chloro-2-pyridinyl)-(3-propoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(6-chloro-2-pyridinyl)-(3-propoxypiperidin-1-yl)methanone
PubChem CID62233136
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name(6-chloro-2-pyridinyl)-(3-propoxypiperidin-1-yl)methanone
SMILESCCCOC1CCCN(C(=O)c2cccc(Cl)n2)C1
InChIInChI=1S/C14H19ClN2O2/c1-2-9-19-11-5-4-8-17(10-11)14(18)12-6-3-7-13(15)16-12/h3,6-7,11H,2,4-5,8-10H2,1H3
InChIKeyZOXLOIKHTCBKGJ-UHFFFAOYSA-N
XLogP2.77
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(8-fluoroquinolin-2-yl)-[(3R)-3-propoxypiperidin-1-yl]methanone
CID 97149570
(4-chlorophenyl)-(3-propoxypiperidin-1-yl)methanone
CID 46029094
5-[(3R)-3-propoxypiperidine-1-carbonyl]-1H-pyrazin-2-one
CID 99983565
(3-ethoxypiperidin-1-yl)-[6-(methylamino)-2-pyridinyl]methanone
CID 62233605
(6-chloro-2-pyridinyl)-(3-propylpyrrolidin-1-yl)methanone
CID 112695912
[4-(chloromethyl)phenyl]-(3-propoxypiperidin-1-yl)methanone
CID 61169758
2-[1-(6-chloropyridine-2-carbonyl)piperidin-3-yl]acetic acid
CID 62690770
N-[1-(6-chloropyridine-2-carbonyl)piperidin-3-yl]acetamide
CID 62234754
(4-bromophenyl)-(3-propoxypiperidin-1-yl)methanone
CID 46029100
(5-chloro-1,3,4-thiadiazol-2-yl)-(3-propoxypiperidin-1-yl)methanone
CID 80618499
6-(3-propoxypiperidin-1-yl)pyridine-2-carboxylic acid
CID 62239893
1H-indol-3-yl-(3-propoxypiperidin-1-yl)methanone
CID 61171911

Frequently Asked Questions

What is the IUPAC name of (6-chloro-2-pyridinyl)-(3-propoxypiperidin-1-yl)methanone?
The IUPAC name of (6-chloro-2-pyridinyl)-(3-propoxypiperidin-1-yl)methanone (CID 62233136) is (6-chloro-2-pyridinyl)-(3-propoxypiperidin-1-yl)methanone.
What is the SMILES notation for (6-chloro-2-pyridinyl)-(3-propoxypiperidin-1-yl)methanone?
The canonical SMILES for (6-chloro-2-pyridinyl)-(3-propoxypiperidin-1-yl)methanone is CCCOC1CCCN(C(=O)c2cccc(Cl)n2)C1.
What is the InChIKey of (6-chloro-2-pyridinyl)-(3-propoxypiperidin-1-yl)methanone?
The InChIKey is ZOXLOIKHTCBKGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-2-9-19-11-5-4-8-17(10-11)14(18)12-6-3-7-13(15)16-12/h3,6-7,11H,2,4-5,8-10H2,1H3.
What are the key properties of (6-chloro-2-pyridinyl)-(3-propoxypiperidin-1-yl)methanone?
(6-chloro-2-pyridinyl)-(3-propoxypiperidin-1-yl)methanone has a molecular weight of 282.77 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-2-pyridinyl)-(3-propoxypiperidin-1-yl)methanone is sourced from PubChem (CID 62233136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).