(2R)-1-[1-(5-chloro-2-pyridinyl)piperidine-4-carbonyl]piperidine-2-carboxylic acid

C17H22ClN3O3 — CID 97317775

IUPAC(2R)-1-[1-(5-chloro-2-pyridinyl)piperidine-4-carbonyl]piperidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCCN1C(=O)C1CCN(c2ccc(Cl)cn2)CC1
InChIInChI=1S/C17H22ClN3O3/c18-13-4-5-15(19-11-13)20-9-6-12(7-10-20)16(22)21-8-2-1-3-14(21)17(23)24/h4-5,11-12,14H,1-3,6-10H2,(H,23,24)/t14-/m1/s1
InChIKeyUJSIDDXJFSCUSV-CQSZACIVSA-N
MW351.83 g/mol
LogP2.42
Rot. Bonds3

About (2R)-1-[1-(5-chloro-2-pyridinyl)piperidine-4-carbonyl]piperidine-2-carboxylic acid

(2R)-1-[1-(5-chloro-2-pyridinyl)piperidine-4-carbonyl]piperidine-2-carboxylic acid (PubChem CID 97317775) has the molecular formula C17H22ClN3O3 and a molecular weight of 351.83 g/mol. Its IUPAC name is (2R)-1-[1-(5-chloro-2-pyridinyl)piperidine-4-carbonyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[1-(5-chloro-2-pyridinyl)piperidine-4-carbonyl]piperidine-2-carboxylic acid
PubChem CID97317775
Molecular FormulaC17H22ClN3O3
Molecular Weight351.83 g/mol
Exact Mass351.13
IUPAC Name(2R)-1-[1-(5-chloro-2-pyridinyl)piperidine-4-carbonyl]piperidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCCN1C(=O)C1CCN(c2ccc(Cl)cn2)CC1
InChIInChI=1S/C17H22ClN3O3/c18-13-4-5-15(19-11-13)20-9-6-12(7-10-20)16(22)21-8-2-1-3-14(21)17(23)24/h4-5,11-12,14H,1-3,6-10H2,(H,23,24)/t14-/m1/s1
InChIKeyUJSIDDXJFSCUSV-CQSZACIVSA-N
XLogP2.42
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.83
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chloro-2-pyridinyl)piperidine-4-carboxylic acid
CID 16787048
3-[(2S)-1-[1-(5-chloro-2-pyridinyl)piperidine-4-carbonyl]piperidin-2-yl]propanoic acid
CID 124705270
(2S,3aR,7aR)-1-[1-(5-chloro-2-pyridinyl)piperidine-4-carbonyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 125152712
(3S)-1-[1-(5-chloro-2-pyridinyl)piperidine-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 124703193
(3R)-1-[1-(5-chloro-2-pyridinyl)piperidine-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 125148072
[1-(5-chloro-2-pyridinyl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone
CID 166602453
[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]methanone
CID 55687204
(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
1-(5-chloro-2-pyridinyl)-N-(4-hydroxyphenyl)piperidine-4-carboxamide
CID 71935267
1-(cyclohexanecarbonyl)azocane-2-carboxylic acid
CID 114239738
(2S)-1-(cyclohexanecarbonyl)piperidine-2-carboxylic acid
CID 42083438

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[1-(5-chloro-2-pyridinyl)piperidine-4-carbonyl]piperidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[1-(5-chloro-2-pyridinyl)piperidine-4-carbonyl]piperidine-2-carboxylic acid (CID 97317775) is (2R)-1-[1-(5-chloro-2-pyridinyl)piperidine-4-carbonyl]piperidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[1-(5-chloro-2-pyridinyl)piperidine-4-carbonyl]piperidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[1-(5-chloro-2-pyridinyl)piperidine-4-carbonyl]piperidine-2-carboxylic acid is O=C(O)[C@H]1CCCCN1C(=O)C1CCN(c2ccc(Cl)cn2)CC1.
What is the InChIKey of (2R)-1-[1-(5-chloro-2-pyridinyl)piperidine-4-carbonyl]piperidine-2-carboxylic acid?
The InChIKey is UJSIDDXJFSCUSV-CQSZACIVSA-N. The full InChI is InChI=1S/C17H22ClN3O3/c18-13-4-5-15(19-11-13)20-9-6-12(7-10-20)16(22)21-8-2-1-3-14(21)17(23)24/h4-5,11-12,14H,1-3,6-10H2,(H,23,24)/t14-/m1/s1.
What are the key properties of (2R)-1-[1-(5-chloro-2-pyridinyl)piperidine-4-carbonyl]piperidine-2-carboxylic acid?
(2R)-1-[1-(5-chloro-2-pyridinyl)piperidine-4-carbonyl]piperidine-2-carboxylic acid has a molecular weight of 351.83 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[1-(5-chloro-2-pyridinyl)piperidine-4-carbonyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 97317775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).