(2-chloro-6-propyl-4-pyridinyl)-(2-methylpiperidin-1-yl)methanone

C15H21ClN2O — CID 113379665

IUPAC(2-chloro-6-propyl-4-pyridinyl)-(2-methylpiperidin-1-yl)methanone
SMILESCCCc1cc(C(=O)N2CCCCC2C)cc(Cl)n1
InChIInChI=1S/C15H21ClN2O/c1-3-6-13-9-12(10-14(16)17-13)15(19)18-8-5-4-7-11(18)2/h9-11H,3-8H2,1-2H3
InChIKeyPHPQWYFTFXSVTG-UHFFFAOYSA-N
MW280.80 g/mol
LogP3.70
Rot. Bonds3

About (2-chloro-6-propyl-4-pyridinyl)-(2-methylpiperidin-1-yl)methanone

(2-chloro-6-propyl-4-pyridinyl)-(2-methylpiperidin-1-yl)methanone (PubChem CID 113379665) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is (2-chloro-6-propyl-4-pyridinyl)-(2-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-chloro-6-propyl-4-pyridinyl)-(2-methylpiperidin-1-yl)methanone
PubChem CID113379665
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name(2-chloro-6-propyl-4-pyridinyl)-(2-methylpiperidin-1-yl)methanone
SMILESCCCc1cc(C(=O)N2CCCCC2C)cc(Cl)n1
InChIInChI=1S/C15H21ClN2O/c1-3-6-13-9-12(10-14(16)17-13)15(19)18-8-5-4-7-11(18)2/h9-11H,3-8H2,1-2H3
InChIKeyPHPQWYFTFXSVTG-UHFFFAOYSA-N
XLogP3.70
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-chloro-6-propyl-4-pyridinyl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 104967300
(2-chloro-6-propyl-4-pyridinyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106668684
[(2S)-2-methylpiperidin-1-yl]-(3,4,5-trichlorophenyl)methanone
CID 94861975
[3,5-dichloro-4-[(2R)-2-methylpiperidine-1-carbonyl]phenyl]-[(2R)-2-methylpiperidin-1-yl]methanone
CID 94071084
(3-bromo-5-chlorophenyl)-(2-methylazepan-1-yl)methanone
CID 114019994
(2-amino-6-chloro-4-pyridinyl)-(2-propylpiperidin-1-yl)methanone
CID 83061829
(6-chloro-2-methylpyrimidin-4-yl)-[(2R)-2-methylpiperidin-1-yl]methanone
CID 97458045
(2-cyclopentylpyrrolidin-1-yl)-(2,6-dichloro-4-pyridinyl)methanone
CID 61072247
[(2S)-2-methylpiperidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone
CID 92719861
2,6-dichloro-4-[(2S)-2-methylpiperidine-1-carbonyl]benzonitrile
CID 94861983
[2,6-dichloro-4-[(2R)-2-methylpiperidine-1-carbonyl]phenyl] thiocyanate
CID 94861980
(2-chloro-6-hydrazinyl-4-pyridinyl)-(2-propylpiperidin-1-yl)methanone
CID 83061599

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-propyl-4-pyridinyl)-(2-methylpiperidin-1-yl)methanone?
The IUPAC name of (2-chloro-6-propyl-4-pyridinyl)-(2-methylpiperidin-1-yl)methanone (CID 113379665) is (2-chloro-6-propyl-4-pyridinyl)-(2-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-chloro-6-propyl-4-pyridinyl)-(2-methylpiperidin-1-yl)methanone?
The canonical SMILES for (2-chloro-6-propyl-4-pyridinyl)-(2-methylpiperidin-1-yl)methanone is CCCc1cc(C(=O)N2CCCCC2C)cc(Cl)n1.
What is the InChIKey of (2-chloro-6-propyl-4-pyridinyl)-(2-methylpiperidin-1-yl)methanone?
The InChIKey is PHPQWYFTFXSVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-3-6-13-9-12(10-14(16)17-13)15(19)18-8-5-4-7-11(18)2/h9-11H,3-8H2,1-2H3.
What are the key properties of (2-chloro-6-propyl-4-pyridinyl)-(2-methylpiperidin-1-yl)methanone?
(2-chloro-6-propyl-4-pyridinyl)-(2-methylpiperidin-1-yl)methanone has a molecular weight of 280.80 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-propyl-4-pyridinyl)-(2-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 113379665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).