(4-chloro-2-pyridinyl)-[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]methanone

C15H19ClN2O3 — CID 86788553

IUPAC(4-chloro-2-pyridinyl)-[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]methanone
SMILESCC1(C2CCCN(C(=O)c3cc(Cl)ccn3)C2)OCCO1
InChIInChI=1S/C15H19ClN2O3/c1-15(20-7-8-21-15)11-3-2-6-18(10-11)14(19)13-9-12(16)4-5-17-13/h4-5,9,11H,2-3,6-8,10H2,1H3
InChIKeyLLFIRWOKAWJHTK-UHFFFAOYSA-N
MW310.78 g/mol
LogP2.35
Rot. Bonds2

About (4-chloro-2-pyridinyl)-[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]methanone

(4-chloro-2-pyridinyl)-[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]methanone (PubChem CID 86788553) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is (4-chloro-2-pyridinyl)-[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-chloro-2-pyridinyl)-[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]methanone
PubChem CID86788553
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC Name(4-chloro-2-pyridinyl)-[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]methanone
SMILESCC1(C2CCCN(C(=O)c3cc(Cl)ccn3)C2)OCCO1
InChIInChI=1S/C15H19ClN2O3/c1-15(20-7-8-21-15)11-3-2-6-18(10-11)14(19)13-9-12(16)4-5-17-13/h4-5,9,11H,2-3,6-8,10H2,1H3
InChIKeyLLFIRWOKAWJHTK-UHFFFAOYSA-N
XLogP2.35
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-chloro-2-pyridinyl)-[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]methanone with MolForge

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Related Compounds

(3R)-1-(4-chloropyridine-2-carbonyl)piperidine-3-carboxylic acid
CID 81118172
(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-(4-chloro-2-pyridinyl)methanone
CID 81104059
isoquinolin-1-yl-[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]methanone
CID 75503683
(4-chloro-2-pyridinyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 80706730
[1-(4-chloropyridine-2-carbonyl)piperidin-3-yl]methylurea
CID 61053200
(3R)-3-(2-methyl-1,3-dioxolan-2-yl)-N-[(2-methylpyrimidin-4-yl)methyl]piperidine-1-carboxamide
CID 124616039
(4-chloro-2-pyridinyl)-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]methanone
CID 86849322
2-[1-(4-chloropyridine-2-carbonyl)pyrrolidin-2-yl]acetic acid
CID 61370686
(4-chloro-2-pyridinyl)-[(3R)-3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]methanone
CID 125139170
[4-(4-chloroanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109218123
[(2S)-2-(2-chlorophenyl)morpholin-4-yl]-(4-chloro-2-pyridinyl)methanone
CID 95296582
(4-chloro-2-pyridinyl)-(4,4-diethylpiperidin-1-yl)methanone
CID 55164875

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-pyridinyl)-[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (4-chloro-2-pyridinyl)-[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]methanone (CID 86788553) is (4-chloro-2-pyridinyl)-[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-chloro-2-pyridinyl)-[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (4-chloro-2-pyridinyl)-[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]methanone is CC1(C2CCCN(C(=O)c3cc(Cl)ccn3)C2)OCCO1.
What is the InChIKey of (4-chloro-2-pyridinyl)-[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]methanone?
The InChIKey is LLFIRWOKAWJHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O3/c1-15(20-7-8-21-15)11-3-2-6-18(10-11)14(19)13-9-12(16)4-5-17-13/h4-5,9,11H,2-3,6-8,10H2,1H3.
What are the key properties of (4-chloro-2-pyridinyl)-[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]methanone?
(4-chloro-2-pyridinyl)-[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]methanone has a molecular weight of 310.78 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-pyridinyl)-[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 86788553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).