1-(5-chloro-2-pyridinyl)-2-[4-[(3R)-piperidin-3-yl]phenyl]ethanone

C18H19ClN2O — CID 58315649

IUPAC1-(5-chloro-2-pyridinyl)-2-[4-[(3R)-piperidin-3-yl]phenyl]ethanone
SMILESO=C(Cc1ccc([C@H]2CCCNC2)cc1)c1ccc(Cl)cn1
InChIInChI=1S/C18H19ClN2O/c19-16-7-8-17(21-12-16)18(22)10-13-3-5-14(6-4-13)15-2-1-9-20-11-15/h3-8,12,15,20H,1-2,9-11H2/t15-/m0/s1
InChIKeyNXPRIMHXRYIITN-HNNXBMFYSA-N
MW314.82 g/mol
LogP3.63
Rot. Bonds4

About 1-(5-chloro-2-pyridinyl)-2-[4-[(3R)-piperidin-3-yl]phenyl]ethanone

1-(5-chloro-2-pyridinyl)-2-[4-[(3R)-piperidin-3-yl]phenyl]ethanone (PubChem CID 58315649) has the molecular formula C18H19ClN2O and a molecular weight of 314.82 g/mol. Its IUPAC name is 1-(5-chloro-2-pyridinyl)-2-[4-[(3R)-piperidin-3-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-(5-chloro-2-pyridinyl)-2-[4-[(3R)-piperidin-3-yl]phenyl]ethanone
PubChem CID58315649
Molecular FormulaC18H19ClN2O
Molecular Weight314.82 g/mol
Exact Mass314.12
IUPAC Name1-(5-chloro-2-pyridinyl)-2-[4-[(3R)-piperidin-3-yl]phenyl]ethanone
SMILESO=C(Cc1ccc([C@H]2CCCNC2)cc1)c1ccc(Cl)cn1
InChIInChI=1S/C18H19ClN2O/c19-16-7-8-17(21-12-16)18(22)10-13-3-5-14(6-4-13)15-2-1-9-20-11-15/h3-8,12,15,20H,1-2,9-11H2/t15-/m0/s1
InChIKeyNXPRIMHXRYIITN-HNNXBMFYSA-N
XLogP3.63
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.82
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(3R)-piperidin-3-yl]phenyl]-1-[6-(trifluoromethyl)-3-pyridinyl]ethanone
CID 58315615
3-(4-piperidin-3-ylphenyl)propanoic acid
CID 116988287
4-chloro-N-(5-piperidin-3-yl-2-pyridinyl)benzamide;hydrochloride
CID 67239168
methyl 2-(4-pyrrolidin-3-ylphenyl)acetate
CID 117275092
5-methyl-N-(4-piperidin-3-ylphenyl)pyrazine-2-carboxamide;hydrochloride
CID 67240535
3-(4-ethylphenyl)azepane
CID 83819662
5-[(4-chlorophenyl)methyl]-2-[(3S)-piperidin-3-yl]-1,3-oxazole
CID 97357376
N-[4-[(3S)-piperidin-3-yl]phenyl]-5-propylpyrazine-2-carboxamide;hydrochloride
CID 67241132
N-[(4-piperidin-3-ylphenyl)methyl]ethanamine
CID 116988263
(3S)-3-(4-chlorophenyl)pyrrolidine;hydrochloride
CID 71742220
3-[4-(piperidin-3-ylmethyl)phenyl]piperidine
CID 116988274
4-[(3S)-piperidin-3-yl]benzoic acid;hydrochloride
CID 154574772

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-pyridinyl)-2-[4-[(3R)-piperidin-3-yl]phenyl]ethanone?
The IUPAC name of 1-(5-chloro-2-pyridinyl)-2-[4-[(3R)-piperidin-3-yl]phenyl]ethanone (CID 58315649) is 1-(5-chloro-2-pyridinyl)-2-[4-[(3R)-piperidin-3-yl]phenyl]ethanone.
What is the SMILES notation for 1-(5-chloro-2-pyridinyl)-2-[4-[(3R)-piperidin-3-yl]phenyl]ethanone?
The canonical SMILES for 1-(5-chloro-2-pyridinyl)-2-[4-[(3R)-piperidin-3-yl]phenyl]ethanone is O=C(Cc1ccc([C@H]2CCCNC2)cc1)c1ccc(Cl)cn1.
What is the InChIKey of 1-(5-chloro-2-pyridinyl)-2-[4-[(3R)-piperidin-3-yl]phenyl]ethanone?
The InChIKey is NXPRIMHXRYIITN-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H19ClN2O/c19-16-7-8-17(21-12-16)18(22)10-13-3-5-14(6-4-13)15-2-1-9-20-11-15/h3-8,12,15,20H,1-2,9-11H2/t15-/m0/s1.
What are the key properties of 1-(5-chloro-2-pyridinyl)-2-[4-[(3R)-piperidin-3-yl]phenyl]ethanone?
1-(5-chloro-2-pyridinyl)-2-[4-[(3R)-piperidin-3-yl]phenyl]ethanone has a molecular weight of 314.82 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-pyridinyl)-2-[4-[(3R)-piperidin-3-yl]phenyl]ethanone is sourced from PubChem (CID 58315649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).