methyl 4-[(3R,5R)-5-(pyridine-2-carbonylamino)piperidin-3-yl]benzoate

C19H21N3O3 — CID 170979733

IUPACmethyl 4-[(3R,5R)-5-(pyridine-2-carbonylamino)piperidin-3-yl]benzoate
SMILESCOC(=O)c1ccc([C@@H]2CNC[C@H](NC(=O)c3ccccn3)C2)cc1
InChIInChI=1S/C19H21N3O3/c1-25-19(24)14-7-5-13(6-8-14)15-10-16(12-20-11-15)22-18(23)17-4-2-3-9-21-17/h2-9,15-16,20H,10-12H2,1H3,(H,22,23)/t15-,16+/m0/s1
InChIKeyYOTQISMZSDKZKA-JKSUJKDBSA-N
MW339.40 g/mol
LogP1.74
Rot. Bonds4

About methyl 4-[(3R,5R)-5-(pyridine-2-carbonylamino)piperidin-3-yl]benzoate

methyl 4-[(3R,5R)-5-(pyridine-2-carbonylamino)piperidin-3-yl]benzoate (PubChem CID 170979733) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is methyl 4-[(3R,5R)-5-(pyridine-2-carbonylamino)piperidin-3-yl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(3R,5R)-5-(pyridine-2-carbonylamino)piperidin-3-yl]benzoate
PubChem CID170979733
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Namemethyl 4-[(3R,5R)-5-(pyridine-2-carbonylamino)piperidin-3-yl]benzoate
SMILESCOC(=O)c1ccc([C@@H]2CNC[C@H](NC(=O)c3ccccn3)C2)cc1
InChIInChI=1S/C19H21N3O3/c1-25-19(24)14-7-5-13(6-8-14)15-10-16(12-20-11-15)22-18(23)17-4-2-3-9-21-17/h2-9,15-16,20H,10-12H2,1H3,(H,22,23)/t15-,16+/m0/s1
InChIKeyYOTQISMZSDKZKA-JKSUJKDBSA-N
XLogP1.74
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;N-[(3R,5R)-5-phenylpiperidin-3-yl]pyridine-2-carboxamide
CID 176969995
N-[4-(pyridine-2-carbonylamino)cyclohexyl]pyridine-2-carboxamide
CID 167956409
N-[(1R,3S)-3-(4-nitrophenyl)cyclopentyl]pyridine-2-carboxamide
CID 102340847
N-(4-methylcyclohexyl)pyridine-2-carboxamide
CID 24633709
methyl 4-[3-(tert-butylcarbamoyl)-3-(pyridine-2-carbonylamino)cyclohexyl]benzoate
CID 146167718
N-[(3R)-1-methylpyrrolidin-3-yl]pyridine-2-carboxamide
CID 59568965
N-(6-oxopiperidin-3-yl)pyridine-2-carboxamide
CID 62492174
methyl 4-[[6-(cyclohexylcarbamoyl)pyridine-2-carbonyl]amino]benzoate
CID 109095382
N-[[(1R,2S)-2-(4-acetylphenyl)cyclopropyl]methyl]pyridine-2-carboxamide
CID 72946592
methyl 4-(pyridin-2-ylmethylcarbamoyl)benzoate
CID 9414602
N-(3-cyclopropylcyclohexyl)pyridine-2-carboxamide
CID 171511790
methyl 6-(cyclopentylcarbamoyl)pyridine-3-carboxylate
CID 31939115

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(3R,5R)-5-(pyridine-2-carbonylamino)piperidin-3-yl]benzoate?
The IUPAC name of methyl 4-[(3R,5R)-5-(pyridine-2-carbonylamino)piperidin-3-yl]benzoate (CID 170979733) is methyl 4-[(3R,5R)-5-(pyridine-2-carbonylamino)piperidin-3-yl]benzoate.
What is the SMILES notation for methyl 4-[(3R,5R)-5-(pyridine-2-carbonylamino)piperidin-3-yl]benzoate?
The canonical SMILES for methyl 4-[(3R,5R)-5-(pyridine-2-carbonylamino)piperidin-3-yl]benzoate is COC(=O)c1ccc([C@@H]2CNC[C@H](NC(=O)c3ccccn3)C2)cc1.
What is the InChIKey of methyl 4-[(3R,5R)-5-(pyridine-2-carbonylamino)piperidin-3-yl]benzoate?
The InChIKey is YOTQISMZSDKZKA-JKSUJKDBSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-25-19(24)14-7-5-13(6-8-14)15-10-16(12-20-11-15)22-18(23)17-4-2-3-9-21-17/h2-9,15-16,20H,10-12H2,1H3,(H,22,23)/t15-,16+/m0/s1.
What are the key properties of methyl 4-[(3R,5R)-5-(pyridine-2-carbonylamino)piperidin-3-yl]benzoate?
methyl 4-[(3R,5R)-5-(pyridine-2-carbonylamino)piperidin-3-yl]benzoate has a molecular weight of 339.40 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(3R,5R)-5-(pyridine-2-carbonylamino)piperidin-3-yl]benzoate is sourced from PubChem (CID 170979733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).