(2-chloro-4-pyridinyl)-[3-(dimethylamino)piperidin-1-yl]methanone

C13H18ClN3O — CID 63091284

IUPAC(2-chloro-4-pyridinyl)-[3-(dimethylamino)piperidin-1-yl]methanone
SMILESCN(C)C1CCCN(C(=O)c2ccnc(Cl)c2)C1
InChIInChI=1S/C13H18ClN3O/c1-16(2)11-4-3-7-17(9-11)13(18)10-5-6-15-12(14)8-10/h5-6,8,11H,3-4,7,9H2,1-2H3
InChIKeySGXWJCOPBHHHBG-UHFFFAOYSA-N
MW267.76 g/mol
LogP1.90
Rot. Bonds2

About (2-chloro-4-pyridinyl)-[3-(dimethylamino)piperidin-1-yl]methanone

(2-chloro-4-pyridinyl)-[3-(dimethylamino)piperidin-1-yl]methanone (PubChem CID 63091284) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is (2-chloro-4-pyridinyl)-[3-(dimethylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-chloro-4-pyridinyl)-[3-(dimethylamino)piperidin-1-yl]methanone
PubChem CID63091284
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC Name(2-chloro-4-pyridinyl)-[3-(dimethylamino)piperidin-1-yl]methanone
SMILESCN(C)C1CCCN(C(=O)c2ccnc(Cl)c2)C1
InChIInChI=1S/C13H18ClN3O/c1-16(2)11-4-3-7-17(9-11)13(18)10-5-6-15-12(14)8-10/h5-6,8,11H,3-4,7,9H2,1-2H3
InChIKeySGXWJCOPBHHHBG-UHFFFAOYSA-N
XLogP1.90
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 51.90
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

(2-bromo-4-pyridinyl)-[3-(dimethylamino)piperidin-1-yl]methanone
CID 103752700
azetidin-1-yl-(2-chloro-4-pyridinyl)methanone
CID 58113908
[(3S)-3-(dimethylamino)piperidin-1-yl]-(2-methylpyrimidin-4-yl)methanone
CID 95143975
(5-chloro-2-hydroxyphenyl)-[3-(dimethylamino)piperidin-1-yl]methanone
CID 63090575
[3-(dimethylamino)piperidin-1-yl]-(3-iodophenyl)methanone
CID 63079570
(4-chloro-3-pyridinyl)-[3-(dimethylamino)piperidin-1-yl]methanone
CID 81233181
1-(2-chloropyridine-4-carbonyl)-N,N-dimethylpiperidine-4-carboxamide
CID 47124151
1-(2-chloropyridine-4-carbonyl)-N-cyclopentylpiperidine-3-sulfonamide
CID 75476198
(2-chloro-4-pyridinyl)-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 103857585
[4-(4-aminoquinolin-6-yl)phenyl]-[3-(dimethylamino)piperidin-1-yl]methanone
CID 122572045
[3-(dimethylamino)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 141277119
(5-bromo-3-pyridinyl)-[3-(dimethylamino)piperidin-1-yl]methanone
CID 63079740

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-pyridinyl)-[3-(dimethylamino)piperidin-1-yl]methanone?
The IUPAC name of (2-chloro-4-pyridinyl)-[3-(dimethylamino)piperidin-1-yl]methanone (CID 63091284) is (2-chloro-4-pyridinyl)-[3-(dimethylamino)piperidin-1-yl]methanone.
What is the SMILES notation for (2-chloro-4-pyridinyl)-[3-(dimethylamino)piperidin-1-yl]methanone?
The canonical SMILES for (2-chloro-4-pyridinyl)-[3-(dimethylamino)piperidin-1-yl]methanone is CN(C)C1CCCN(C(=O)c2ccnc(Cl)c2)C1.
What is the InChIKey of (2-chloro-4-pyridinyl)-[3-(dimethylamino)piperidin-1-yl]methanone?
The InChIKey is SGXWJCOPBHHHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O/c1-16(2)11-4-3-7-17(9-11)13(18)10-5-6-15-12(14)8-10/h5-6,8,11H,3-4,7,9H2,1-2H3.
What are the key properties of (2-chloro-4-pyridinyl)-[3-(dimethylamino)piperidin-1-yl]methanone?
(2-chloro-4-pyridinyl)-[3-(dimethylamino)piperidin-1-yl]methanone has a molecular weight of 267.76 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-pyridinyl)-[3-(dimethylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 63091284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).