1-(2-chlorophenyl)-3-[(6-methoxy-2-pyridinyl)methylamino]piperidin-2-one

C18H20ClN3O2 — CID 119139081

IUPAC1-(2-chlorophenyl)-3-[(6-methoxy-2-pyridinyl)methylamino]piperidin-2-one
SMILESCOc1cccc(CNC2CCCN(c3ccccc3Cl)C2=O)n1
InChIInChI=1S/C18H20ClN3O2/c1-24-17-10-4-6-13(21-17)12-20-15-8-5-11-22(18(15)23)16-9-3-2-7-14(16)19/h2-4,6-7,9-10,15,20H,5,8,11-12H2,1H3
InChIKeyUEQFMQTTZZZWGF-UHFFFAOYSA-N
MW345.83 g/mol
LogP3.03
Rot. Bonds5

About 1-(2-chlorophenyl)-3-[(6-methoxy-2-pyridinyl)methylamino]piperidin-2-one

1-(2-chlorophenyl)-3-[(6-methoxy-2-pyridinyl)methylamino]piperidin-2-one (PubChem CID 119139081) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-[(6-methoxy-2-pyridinyl)methylamino]piperidin-2-one.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-[(6-methoxy-2-pyridinyl)methylamino]piperidin-2-one
PubChem CID119139081
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC Name1-(2-chlorophenyl)-3-[(6-methoxy-2-pyridinyl)methylamino]piperidin-2-one
SMILESCOc1cccc(CNC2CCCN(c3ccccc3Cl)C2=O)n1
InChIInChI=1S/C18H20ClN3O2/c1-24-17-10-4-6-13(21-17)12-20-15-8-5-11-22(18(15)23)16-9-3-2-7-14(16)19/h2-4,6-7,9-10,15,20H,5,8,11-12H2,1H3
InChIKeyUEQFMQTTZZZWGF-UHFFFAOYSA-N
XLogP3.03
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(6-methoxy-2-pyridinyl)methylamino]-1-phenylpiperidin-2-one
CID 119133512
(3S)-1-(2-chlorophenyl)-3-[[(2R)-1-cyclopropylpropan-2-yl]amino]piperidin-2-one
CID 97318754
1-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-3-ethylurea
CID 71994500
1-(2-chlorophenyl)-3-[(3-methylimidazol-4-yl)methylamino]pyrrolidin-2-one
CID 119128736
(3S)-1-(2-chlorophenyl)-3-[(3-methylimidazol-4-yl)methylamino]pyrrolidin-2-one
CID 124556757
1-(2-chlorophenyl)-3-hydroxypiperidin-2-one
CID 117014113
2,6-dichloro-N-[(6-methoxy-2-pyridinyl)methyl]aniline
CID 65468810
N-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-4-methoxypiperidine-4-carboxamide
CID 119802811
3-tert-butyl-1-(2-chlorophenyl)piperidin-2-one
CID 176632025
1-(3-chloro-2-methylphenyl)-3-(propylamino)pyrrolidin-2-one
CID 54973419
2-amino-N-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-2-phenylacetamide;hydrochloride
CID 119334565
N-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-2-methylsulfonylpropanamide
CID 136527689

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-[(6-methoxy-2-pyridinyl)methylamino]piperidin-2-one?
The IUPAC name of 1-(2-chlorophenyl)-3-[(6-methoxy-2-pyridinyl)methylamino]piperidin-2-one (CID 119139081) is 1-(2-chlorophenyl)-3-[(6-methoxy-2-pyridinyl)methylamino]piperidin-2-one.
What is the SMILES notation for 1-(2-chlorophenyl)-3-[(6-methoxy-2-pyridinyl)methylamino]piperidin-2-one?
The canonical SMILES for 1-(2-chlorophenyl)-3-[(6-methoxy-2-pyridinyl)methylamino]piperidin-2-one is COc1cccc(CNC2CCCN(c3ccccc3Cl)C2=O)n1.
What is the InChIKey of 1-(2-chlorophenyl)-3-[(6-methoxy-2-pyridinyl)methylamino]piperidin-2-one?
The InChIKey is UEQFMQTTZZZWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2/c1-24-17-10-4-6-13(21-17)12-20-15-8-5-11-22(18(15)23)16-9-3-2-7-14(16)19/h2-4,6-7,9-10,15,20H,5,8,11-12H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-3-[(6-methoxy-2-pyridinyl)methylamino]piperidin-2-one?
1-(2-chlorophenyl)-3-[(6-methoxy-2-pyridinyl)methylamino]piperidin-2-one has a molecular weight of 345.83 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-[(6-methoxy-2-pyridinyl)methylamino]piperidin-2-one is sourced from PubChem (CID 119139081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).