1-(6-chloro-3-pyridinyl)-2-methyl-3-piperidin-1-ylpropan-1-one

C14H19ClN2O — CID 10825696

IUPAC1-(6-chloro-3-pyridinyl)-2-methyl-3-piperidin-1-ylpropan-1-one
SMILESCC(CN1CCCCC1)C(=O)c1ccc(Cl)nc1
InChIInChI=1S/C14H19ClN2O/c1-11(10-17-7-3-2-4-8-17)14(18)12-5-6-13(15)16-9-12/h5-6,9,11H,2-4,7-8,10H2,1H3
InChIKeyXKKXGZJOYVYDHV-UHFFFAOYSA-N
MW266.77 g/mol
LogP3.04
Rot. Bonds4

About 1-(6-chloro-3-pyridinyl)-2-methyl-3-piperidin-1-ylpropan-1-one

1-(6-chloro-3-pyridinyl)-2-methyl-3-piperidin-1-ylpropan-1-one (PubChem CID 10825696) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 1-(6-chloro-3-pyridinyl)-2-methyl-3-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(6-chloro-3-pyridinyl)-2-methyl-3-piperidin-1-ylpropan-1-one
PubChem CID10825696
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name1-(6-chloro-3-pyridinyl)-2-methyl-3-piperidin-1-ylpropan-1-one
SMILESCC(CN1CCCCC1)C(=O)c1ccc(Cl)nc1
InChIInChI=1S/C14H19ClN2O/c1-11(10-17-7-3-2-4-8-17)14(18)12-5-6-13(15)16-9-12/h5-6,9,11H,2-4,7-8,10H2,1H3
InChIKeyXKKXGZJOYVYDHV-UHFFFAOYSA-N
XLogP3.04
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 53.04
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

1-(6-chloronaphthalen-2-yl)-2-methyl-3-piperidin-1-ylpropan-1-one
CID 12952373
3-(azepan-1-yl)-2-methyl-1-phenylpropan-1-one
CID 2848399
1-(3-chloro-4-methoxyphenyl)-2-methyl-3-piperidin-1-ylpropan-1-one
CID 12952367
(2R)-1-(4-ethylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-one
CID 76963739
(Z)-but-2-enedioic acid;(2S)-2-methyl-1-(4-methylphenyl)-3-piperidin-1-ylpropan-1-one
CID 56960042
(E)-but-2-enedioic acid;1-(4-ethylphenyl)-2-methyl-3-piperidin-1-ylpropan-1-one
CID 67426641
1-(4-chloro-2,3-dimethylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-one
CID 14071351
6-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)pyridine-3-sulfonamide
CID 61045800
(2S)-2-methyl-3-[4-[(2R)-2-methyl-3-oxo-3-phenylpropyl]piperazin-1-yl]-1-phenylpropan-1-one
CID 92774232
(2R)-4-[(6-chloro-3-pyridinyl)amino]-4-oxo-2-(pyrrolidin-1-ylmethyl)butanoic acid
CID 95859297
6-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
CID 46525121
1-methyl-6-(2-methyl-3-piperidin-1-ylpropanoyl)-3,4-dihydroquinolin-2-one
CID 70580786

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-3-pyridinyl)-2-methyl-3-piperidin-1-ylpropan-1-one?
The IUPAC name of 1-(6-chloro-3-pyridinyl)-2-methyl-3-piperidin-1-ylpropan-1-one (CID 10825696) is 1-(6-chloro-3-pyridinyl)-2-methyl-3-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 1-(6-chloro-3-pyridinyl)-2-methyl-3-piperidin-1-ylpropan-1-one?
The canonical SMILES for 1-(6-chloro-3-pyridinyl)-2-methyl-3-piperidin-1-ylpropan-1-one is CC(CN1CCCCC1)C(=O)c1ccc(Cl)nc1.
What is the InChIKey of 1-(6-chloro-3-pyridinyl)-2-methyl-3-piperidin-1-ylpropan-1-one?
The InChIKey is XKKXGZJOYVYDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-11(10-17-7-3-2-4-8-17)14(18)12-5-6-13(15)16-9-12/h5-6,9,11H,2-4,7-8,10H2,1H3.
What are the key properties of 1-(6-chloro-3-pyridinyl)-2-methyl-3-piperidin-1-ylpropan-1-one?
1-(6-chloro-3-pyridinyl)-2-methyl-3-piperidin-1-ylpropan-1-one has a molecular weight of 266.77 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-3-pyridinyl)-2-methyl-3-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 10825696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).