1-[1-(5-chloropyridine-2-carbonyl)piperidin-2-yl]propan-2-one

C14H17ClN2O2 — CID 79549533

IUPAC1-[1-(5-chloropyridine-2-carbonyl)piperidin-2-yl]propan-2-one
SMILESCC(=O)CC1CCCCN1C(=O)c1ccc(Cl)cn1
InChIInChI=1S/C14H17ClN2O2/c1-10(18)8-12-4-2-3-7-17(12)14(19)13-6-5-11(15)9-16-13/h5-6,9,12H,2-4,7-8H2,1H3
InChIKeyRXIZIAMFKKDLOA-UHFFFAOYSA-N
MW280.75 g/mol
LogP2.71
Rot. Bonds3

About 1-[1-(5-chloropyridine-2-carbonyl)piperidin-2-yl]propan-2-one

1-[1-(5-chloropyridine-2-carbonyl)piperidin-2-yl]propan-2-one (PubChem CID 79549533) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.75 g/mol. Its IUPAC name is 1-[1-(5-chloropyridine-2-carbonyl)piperidin-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[1-(5-chloropyridine-2-carbonyl)piperidin-2-yl]propan-2-one
PubChem CID79549533
Molecular FormulaC14H17ClN2O2
Molecular Weight280.75 g/mol
Exact Mass280.10
IUPAC Name1-[1-(5-chloropyridine-2-carbonyl)piperidin-2-yl]propan-2-one
SMILESCC(=O)CC1CCCCN1C(=O)c1ccc(Cl)cn1
InChIInChI=1S/C14H17ClN2O2/c1-10(18)8-12-4-2-3-7-17(12)14(19)13-6-5-11(15)9-16-13/h5-6,9,12H,2-4,7-8H2,1H3
InChIKeyRXIZIAMFKKDLOA-UHFFFAOYSA-N
XLogP2.71
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2R)-1-(5-chloropyridine-2-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone
CID 97248069
2-[1-(5-chloropyridine-2-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone
CID 75393457
1-[1-(5-chloro-2-fluorobenzoyl)azepan-2-yl]propan-2-one
CID 79540783
1-[1-(1,3-thiazole-4-carbonyl)piperidin-2-yl]propan-2-one
CID 79549025
(5-chloro-2-pyridinyl)-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]methanone
CID 111472239
(5-chloro-2-pyridinyl)-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 120949586
1-[1-(5-chlorothiophene-2-carbonyl)piperidin-2-yl]propan-2-one
CID 79549466
(5-chloro-2-pyridinyl)-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]methanone
CID 138385331
1-[1-(pyridine-4-carbonyl)pyrrolidin-2-yl]propan-2-one
CID 79541349
1-[1-(pyridine-3-carbonyl)piperidin-2-yl]propan-2-one
CID 79548958
1-[1-(3,5-dichlorobenzoyl)pyrrolidin-2-yl]propan-2-one
CID 79541789
1-[1-(1,3-thiazole-4-carbonyl)pyrrolidin-2-yl]propan-2-one
CID 79541640

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-chloropyridine-2-carbonyl)piperidin-2-yl]propan-2-one?
The IUPAC name of 1-[1-(5-chloropyridine-2-carbonyl)piperidin-2-yl]propan-2-one (CID 79549533) is 1-[1-(5-chloropyridine-2-carbonyl)piperidin-2-yl]propan-2-one.
What is the SMILES notation for 1-[1-(5-chloropyridine-2-carbonyl)piperidin-2-yl]propan-2-one?
The canonical SMILES for 1-[1-(5-chloropyridine-2-carbonyl)piperidin-2-yl]propan-2-one is CC(=O)CC1CCCCN1C(=O)c1ccc(Cl)cn1.
What is the InChIKey of 1-[1-(5-chloropyridine-2-carbonyl)piperidin-2-yl]propan-2-one?
The InChIKey is RXIZIAMFKKDLOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c1-10(18)8-12-4-2-3-7-17(12)14(19)13-6-5-11(15)9-16-13/h5-6,9,12H,2-4,7-8H2,1H3.
What are the key properties of 1-[1-(5-chloropyridine-2-carbonyl)piperidin-2-yl]propan-2-one?
1-[1-(5-chloropyridine-2-carbonyl)piperidin-2-yl]propan-2-one has a molecular weight of 280.75 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-chloropyridine-2-carbonyl)piperidin-2-yl]propan-2-one is sourced from PubChem (CID 79549533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).