1-[(3R)-3-[[(5-chloro-6-methyl-2-pyridinyl)amino]methyl]piperidin-1-yl]ethanone

C14H20ClN3O — CID 164641958

IUPAC1-[(3R)-3-[[(5-chloro-6-methyl-2-pyridinyl)amino]methyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@H](CNc2ccc(Cl)c(C)n2)C1
InChIInChI=1S/C14H20ClN3O/c1-10-13(15)5-6-14(17-10)16-8-12-4-3-7-18(9-12)11(2)19/h5-6,12H,3-4,7-9H2,1-2H3,(H,16,17)/t12-/m1/s1
InChIKeyGJVVOUBXPYJIMB-GFCCVEGCSA-N
MW281.79 g/mol
LogP2.71
Rot. Bonds3

About 1-[(3R)-3-[[(5-chloro-6-methyl-2-pyridinyl)amino]methyl]piperidin-1-yl]ethanone

1-[(3R)-3-[[(5-chloro-6-methyl-2-pyridinyl)amino]methyl]piperidin-1-yl]ethanone (PubChem CID 164641958) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is 1-[(3R)-3-[[(5-chloro-6-methyl-2-pyridinyl)amino]methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3R)-3-[[(5-chloro-6-methyl-2-pyridinyl)amino]methyl]piperidin-1-yl]ethanone
PubChem CID164641958
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC Name1-[(3R)-3-[[(5-chloro-6-methyl-2-pyridinyl)amino]methyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@H](CNc2ccc(Cl)c(C)n2)C1
InChIInChI=1S/C14H20ClN3O/c1-10-13(15)5-6-14(17-10)16-8-12-4-3-7-18(9-12)11(2)19/h5-6,12H,3-4,7-9H2,1-2H3,(H,16,17)/t12-/m1/s1
InChIKeyGJVVOUBXPYJIMB-GFCCVEGCSA-N
XLogP2.71
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-chloroanilino)-6-methylpyrimidin-4-yl]-N,N-diethylpiperidine-3-carboxamide
CID 44523652
(3R)-N-[2-(4-chlorophenyl)ethyl]-1-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 90654578
4-(3-Chlorophenyl)-1,7-diethyl-3,4-dihydropyrido[2,3-d]pyrimidin-2-one
CID 162674311
2-(3-chlorophenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide
CID 164619678
2-(2-chlorophenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide
CID 164628300
(2S)-N-[1-(3-chlorophenyl)-3-(3-methylbutan-2-yl)-2-oxo-4H-pyrido[3,2-d]pyrimidin-6-yl]-2-(methylamino)propanamide
CID 70980203
(2S)-N-[1-(4-chlorophenyl)-3-(4-methylpentan-2-yl)-2-oxo-4H-pyrido[3,2-d]pyrimidin-6-yl]-2-(methylamino)propanamide
CID 70980666
N-(4-chlorophenyl)-N-(cyclopropylmethyl)-1-(6-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 71768317
N-[1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]acetamide
CID 89735969
3-((1-(2-chlorophenyl)-2-oxo-7-(trifluoromethyl)-1,2-dihydropyrido[2,3-d]-pyrimidin-4-yl)amino)-N-methylpropanamide
CID 153608704
2-(4-chlorophenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide
CID 164611574
1-(2-chlorophenyl)-7-isopropyl-4-(methylamino)pyrido[2,3-d]pyrimidin-2(1H)-one
CID 153609042

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-[[(5-chloro-6-methyl-2-pyridinyl)amino]methyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[(3R)-3-[[(5-chloro-6-methyl-2-pyridinyl)amino]methyl]piperidin-1-yl]ethanone (CID 164641958) is 1-[(3R)-3-[[(5-chloro-6-methyl-2-pyridinyl)amino]methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[(3R)-3-[[(5-chloro-6-methyl-2-pyridinyl)amino]methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[(3R)-3-[[(5-chloro-6-methyl-2-pyridinyl)amino]methyl]piperidin-1-yl]ethanone is CC(=O)N1CCC[C@H](CNc2ccc(Cl)c(C)n2)C1.
What is the InChIKey of 1-[(3R)-3-[[(5-chloro-6-methyl-2-pyridinyl)amino]methyl]piperidin-1-yl]ethanone?
The InChIKey is GJVVOUBXPYJIMB-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-10-13(15)5-6-14(17-10)16-8-12-4-3-7-18(9-12)11(2)19/h5-6,12H,3-4,7-9H2,1-2H3,(H,16,17)/t12-/m1/s1.
What are the key properties of 1-[(3R)-3-[[(5-chloro-6-methyl-2-pyridinyl)amino]methyl]piperidin-1-yl]ethanone?
1-[(3R)-3-[[(5-chloro-6-methyl-2-pyridinyl)amino]methyl]piperidin-1-yl]ethanone has a molecular weight of 281.79 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-[[(5-chloro-6-methyl-2-pyridinyl)amino]methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 164641958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).