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

C12H16ClN3O — CID 89194471

IUPAC(2-chloro-4-pyridinyl)-[4-(methylamino)piperidin-1-yl]methanone
SMILESCNC1CCN(C(=O)c2ccnc(Cl)c2)CC1
InChIInChI=1S/C12H16ClN3O/c1-14-10-3-6-16(7-4-10)12(17)9-2-5-15-11(13)8-9/h2,5,8,10,14H,3-4,6-7H2,1H3
InChIKeyLHLDRDUWQAUDPZ-UHFFFAOYSA-N
MW253.73 g/mol
LogP1.56
Rot. Bonds2

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

(2-chloro-4-pyridinyl)-[4-(methylamino)piperidin-1-yl]methanone (PubChem CID 89194471) has the molecular formula C12H16ClN3O and a molecular weight of 253.73 g/mol. Its IUPAC name is (2-chloro-4-pyridinyl)-[4-(methylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-chloro-4-pyridinyl)-[4-(methylamino)piperidin-1-yl]methanone
PubChem CID89194471
Molecular FormulaC12H16ClN3O
Molecular Weight253.73 g/mol
Exact Mass253.10
IUPAC Name(2-chloro-4-pyridinyl)-[4-(methylamino)piperidin-1-yl]methanone
SMILESCNC1CCN(C(=O)c2ccnc(Cl)c2)CC1
InChIInChI=1S/C12H16ClN3O/c1-14-10-3-6-16(7-4-10)12(17)9-2-5-15-11(13)8-9/h2,5,8,10,14H,3-4,6-7H2,1H3
InChIKeyLHLDRDUWQAUDPZ-UHFFFAOYSA-N
XLogP1.56
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3,4-dichlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119559758
azetidin-1-yl-(2-chloro-4-pyridinyl)methanone
CID 58113908
1-(2-chloropyridine-4-carbonyl)-N,N-dimethylpiperidine-4-carboxamide
CID 47124151
(2-chloro-4-pyridinyl)-[4-(2-fluoroanilino)piperidin-1-yl]methanone
CID 71998533
4-chloro-N-[1-(2-chloropyridine-4-carbonyl)piperidin-4-yl]benzenesulfonamide
CID 127219140
(4-chlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 83728657
[3-(methylamino)pyrrolidin-1-yl]-(2-methyl-4-pyridinyl)methanone
CID 106753716
(2-chloro-4-pyridinyl)-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 103857585
(4-tert-butylpiperazin-1-yl)-(2-chloro-4-pyridinyl)methanone
CID 61073425
2-[1-(2-chloropyridine-4-carbonyl)piperidin-4-yl]oxyacetic acid
CID 107526554
(3,4-dimethoxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 60818753
(4-fluoro-3-hydroxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 90382644

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-pyridinyl)-[4-(methylamino)piperidin-1-yl]methanone?
The IUPAC name of (2-chloro-4-pyridinyl)-[4-(methylamino)piperidin-1-yl]methanone (CID 89194471) is (2-chloro-4-pyridinyl)-[4-(methylamino)piperidin-1-yl]methanone.
What is the SMILES notation for (2-chloro-4-pyridinyl)-[4-(methylamino)piperidin-1-yl]methanone?
The canonical SMILES for (2-chloro-4-pyridinyl)-[4-(methylamino)piperidin-1-yl]methanone is CNC1CCN(C(=O)c2ccnc(Cl)c2)CC1.
What is the InChIKey of (2-chloro-4-pyridinyl)-[4-(methylamino)piperidin-1-yl]methanone?
The InChIKey is LHLDRDUWQAUDPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O/c1-14-10-3-6-16(7-4-10)12(17)9-2-5-15-11(13)8-9/h2,5,8,10,14H,3-4,6-7H2,1H3.
What are the key properties of (2-chloro-4-pyridinyl)-[4-(methylamino)piperidin-1-yl]methanone?
(2-chloro-4-pyridinyl)-[4-(methylamino)piperidin-1-yl]methanone has a molecular weight of 253.73 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-pyridinyl)-[4-(methylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 89194471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).