5-[(3S)-3-methylpiperidin-1-yl]pyridine-3-carboxylic acid

C12H16N2O2 — CID 126422492

IUPAC5-[(3S)-3-methylpiperidin-1-yl]pyridine-3-carboxylic acid
SMILESC[C@H]1CCCN(c2cncc(C(=O)O)c2)C1
InChIInChI=1S/C12H16N2O2/c1-9-3-2-4-14(8-9)11-5-10(12(15)16)6-13-7-11/h5-7,9H,2-4,8H2,1H3,(H,15,16)/t9-/m0/s1
InChIKeyLNTOGIKPXZBVMM-VIFPVBQESA-N
MW220.27 g/mol
LogP2.02
Rot. Bonds2

About 5-[(3S)-3-methylpiperidin-1-yl]pyridine-3-carboxylic acid

5-[(3S)-3-methylpiperidin-1-yl]pyridine-3-carboxylic acid (PubChem CID 126422492) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 5-[(3S)-3-methylpiperidin-1-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[(3S)-3-methylpiperidin-1-yl]pyridine-3-carboxylic acid
PubChem CID126422492
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name5-[(3S)-3-methylpiperidin-1-yl]pyridine-3-carboxylic acid
SMILESC[C@H]1CCCN(c2cncc(C(=O)O)c2)C1
InChIInChI=1S/C12H16N2O2/c1-9-3-2-4-14(8-9)11-5-10(12(15)16)6-13-7-11/h5-7,9H,2-4,8H2,1H3,(H,15,16)/t9-/m0/s1
InChIKeyLNTOGIKPXZBVMM-VIFPVBQESA-N
XLogP2.02
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-methylpiperidin-1-yl)-N-propylpyridine-3-carboxamide
CID 109222844
(3-methylpiperidin-1-yl)-(5-piperidin-1-yl-3-pyridinyl)methanone
CID 109226519
5-(3-methylpiperidin-1-yl)-N-prop-2-enylpyridine-3-carboxamide
CID 109224030
N-ethyl-5-(3-methylpiperidin-1-yl)-N-phenylpyridine-3-carboxamide
CID 109240823
(4-benzylpiperidin-1-yl)-[5-(3-methylpiperidin-1-yl)-3-pyridinyl]methanone
CID 109240472
(4-benzylpiperazin-1-yl)-[5-(3-methylpiperidin-1-yl)-3-pyridinyl]methanone
CID 109237470
methyl 4-[[5-(3-methylpiperidin-1-yl)pyridine-3-carbonyl]amino]benzoate
CID 109240867
5-(3-methylpiperidin-1-yl)-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
CID 109229499
methyl 4-chloro-3-[[5-(3-methylpiperidin-1-yl)pyridine-3-carbonyl]amino]benzoate
CID 109240868
2-chloro-6-(3-methylpiperidin-1-yl)pyridine-4-carboxylic acid
CID 43166580
5-[4-(cyclobutanecarbonyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 177196759
3-(3-methylpiperidin-1-yl)pyridine
CID 139386622

Frequently Asked Questions

What is the IUPAC name of 5-[(3S)-3-methylpiperidin-1-yl]pyridine-3-carboxylic acid?
The IUPAC name of 5-[(3S)-3-methylpiperidin-1-yl]pyridine-3-carboxylic acid (CID 126422492) is 5-[(3S)-3-methylpiperidin-1-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[(3S)-3-methylpiperidin-1-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[(3S)-3-methylpiperidin-1-yl]pyridine-3-carboxylic acid is C[C@H]1CCCN(c2cncc(C(=O)O)c2)C1.
What is the InChIKey of 5-[(3S)-3-methylpiperidin-1-yl]pyridine-3-carboxylic acid?
The InChIKey is LNTOGIKPXZBVMM-VIFPVBQESA-N. The full InChI is InChI=1S/C12H16N2O2/c1-9-3-2-4-14(8-9)11-5-10(12(15)16)6-13-7-11/h5-7,9H,2-4,8H2,1H3,(H,15,16)/t9-/m0/s1.
What are the key properties of 5-[(3S)-3-methylpiperidin-1-yl]pyridine-3-carboxylic acid?
5-[(3S)-3-methylpiperidin-1-yl]pyridine-3-carboxylic acid has a molecular weight of 220.27 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S)-3-methylpiperidin-1-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 126422492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).