(2S)-1-[6-(4-methylpiperidin-1-yl)pyridine-3-carbonyl]pyrrolidine-2-carboxylic acid

C17H23N3O3 — CID 119366174

IUPAC(2S)-1-[6-(4-methylpiperidin-1-yl)pyridine-3-carbonyl]pyrrolidine-2-carboxylic acid
SMILESCC1CCN(c2ccc(C(=O)N3CCC[C@H]3C(=O)O)cn2)CC1
InChIInChI=1S/C17H23N3O3/c1-12-6-9-19(10-7-12)15-5-4-13(11-18-15)16(21)20-8-2-3-14(20)17(22)23/h4-5,11-12,14H,2-3,6-10H2,1H3,(H,22,23)/t14-/m0/s1
InChIKeyQLURDZRLFXZYDH-AWEZNQCLSA-N
MW317.39 g/mol
LogP2.01
Rot. Bonds3

About (2S)-1-[6-(4-methylpiperidin-1-yl)pyridine-3-carbonyl]pyrrolidine-2-carboxylic acid

(2S)-1-[6-(4-methylpiperidin-1-yl)pyridine-3-carbonyl]pyrrolidine-2-carboxylic acid (PubChem CID 119366174) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is (2S)-1-[6-(4-methylpiperidin-1-yl)pyridine-3-carbonyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[6-(4-methylpiperidin-1-yl)pyridine-3-carbonyl]pyrrolidine-2-carboxylic acid
PubChem CID119366174
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name(2S)-1-[6-(4-methylpiperidin-1-yl)pyridine-3-carbonyl]pyrrolidine-2-carboxylic acid
SMILESCC1CCN(c2ccc(C(=O)N3CCC[C@H]3C(=O)O)cn2)CC1
InChIInChI=1S/C17H23N3O3/c1-12-6-9-19(10-7-12)15-5-4-13(11-18-15)16(21)20-8-2-3-14(20)17(22)23/h4-5,11-12,14H,2-3,6-10H2,1H3,(H,22,23)/t14-/m0/s1
InChIKeyQLURDZRLFXZYDH-AWEZNQCLSA-N
XLogP2.01
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-[6-(azepan-1-yl)pyridine-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 119371097
1-[6-(azepan-1-yl)pyridine-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 119356013
[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-[2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone
CID 75396704
(2R)-1-(6-imidazol-1-ylpyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 78921306
(2S)-1-(6-carbamoylpyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 125147875
(4-aminopiperidin-1-yl)-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methanone
CID 119374279
(2R)-1-(6-methoxypyridine-3-carbonyl)piperidine-2-carboxylic acid
CID 79034423
(2R)-1-[4-[(2R)-2-acetylpyrrolidine-1-carbonyl]benzoyl]pyrrolidine-2-carboxylic acid
CID 59403363
(2R)-1-[6-(methylcarbamoyl)pyridine-3-carbonyl]piperidine-2-carboxylic acid
CID 120537319
(2S)-1-[4-(4-methylpiperidin-1-yl)-3-nitrobenzoyl]pyrrolidine-2-carboxylic acid
CID 119365017
[6-(4-benzylpiperidin-1-yl)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109152629
[4-(4-fluorophenyl)piperazin-1-yl]-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methanone
CID 109152530

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[6-(4-methylpiperidin-1-yl)pyridine-3-carbonyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[6-(4-methylpiperidin-1-yl)pyridine-3-carbonyl]pyrrolidine-2-carboxylic acid (CID 119366174) is (2S)-1-[6-(4-methylpiperidin-1-yl)pyridine-3-carbonyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[6-(4-methylpiperidin-1-yl)pyridine-3-carbonyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[6-(4-methylpiperidin-1-yl)pyridine-3-carbonyl]pyrrolidine-2-carboxylic acid is CC1CCN(c2ccc(C(=O)N3CCC[C@H]3C(=O)O)cn2)CC1.
What is the InChIKey of (2S)-1-[6-(4-methylpiperidin-1-yl)pyridine-3-carbonyl]pyrrolidine-2-carboxylic acid?
The InChIKey is QLURDZRLFXZYDH-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-12-6-9-19(10-7-12)15-5-4-13(11-18-15)16(21)20-8-2-3-14(20)17(22)23/h4-5,11-12,14H,2-3,6-10H2,1H3,(H,22,23)/t14-/m0/s1.
What are the key properties of (2S)-1-[6-(4-methylpiperidin-1-yl)pyridine-3-carbonyl]pyrrolidine-2-carboxylic acid?
(2S)-1-[6-(4-methylpiperidin-1-yl)pyridine-3-carbonyl]pyrrolidine-2-carboxylic acid has a molecular weight of 317.39 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[6-(4-methylpiperidin-1-yl)pyridine-3-carbonyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 119366174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).