3-[(2S)-1-[1-(5-chloro-2-pyridinyl)piperidine-4-carbonyl]piperidin-2-yl]propanoic acid

C19H26ClN3O3 — CID 124705270

IUPAC3-[(2S)-1-[1-(5-chloro-2-pyridinyl)piperidine-4-carbonyl]piperidin-2-yl]propanoic acid
SMILESO=C(O)CC[C@@H]1CCCCN1C(=O)C1CCN(c2ccc(Cl)cn2)CC1
InChIInChI=1S/C19H26ClN3O3/c20-15-4-6-17(21-13-15)22-11-8-14(9-12-22)19(26)23-10-2-1-3-16(23)5-7-18(24)25/h4,6,13-14,16H,1-3,5,7-12H2,(H,24,25)/t16-/m0/s1
InChIKeyJATBVEGUCMXEPY-INIZCTEOSA-N
MW379.89 g/mol
LogP3.20
Rot. Bonds5

About 3-[(2S)-1-[1-(5-chloro-2-pyridinyl)piperidine-4-carbonyl]piperidin-2-yl]propanoic acid

3-[(2S)-1-[1-(5-chloro-2-pyridinyl)piperidine-4-carbonyl]piperidin-2-yl]propanoic acid (PubChem CID 124705270) has the molecular formula C19H26ClN3O3 and a molecular weight of 379.89 g/mol. Its IUPAC name is 3-[(2S)-1-[1-(5-chloro-2-pyridinyl)piperidine-4-carbonyl]piperidin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[(2S)-1-[1-(5-chloro-2-pyridinyl)piperidine-4-carbonyl]piperidin-2-yl]propanoic acid
PubChem CID124705270
Molecular FormulaC19H26ClN3O3
Molecular Weight379.89 g/mol
Exact Mass379.17
IUPAC Name3-[(2S)-1-[1-(5-chloro-2-pyridinyl)piperidine-4-carbonyl]piperidin-2-yl]propanoic acid
SMILESO=C(O)CC[C@@H]1CCCCN1C(=O)C1CCN(c2ccc(Cl)cn2)CC1
InChIInChI=1S/C19H26ClN3O3/c20-15-4-6-17(21-13-15)22-11-8-14(9-12-22)19(26)23-10-2-1-3-16(23)5-7-18(24)25/h4,6,13-14,16H,1-3,5,7-12H2,(H,24,25)/t16-/m0/s1
InChIKeyJATBVEGUCMXEPY-INIZCTEOSA-N
XLogP3.20
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.89
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(2S)-1-[1-(5-chloro-2-pyridinyl)piperidine-4-carbonyl]piperidin-2-yl]propanoic acid with MolForge

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Related Compounds

(2R)-1-[1-(5-chloro-2-pyridinyl)piperidine-4-carbonyl]piperidine-2-carboxylic acid
CID 97317775
1-(5-chloro-2-pyridinyl)piperidine-4-carboxylic acid
CID 16787048
(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
(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
[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]methanone
CID 55687204
1-(5-chloro-2-pyridinyl)-N-(4-hydroxyphenyl)piperidine-4-carboxamide
CID 71935267
3-[1-(5-chloro-2-fluorobenzoyl)piperidin-2-yl]propanoic acid
CID 62217106
[1-(5-chloro-2-pyridinyl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone
CID 166602453
N-[(4-chlorophenyl)methyl]-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 39705993
3-[(2R)-1-(4,6-dimethylpyrimidine-5-carbonyl)piperidin-2-yl]propanoic acid
CID 126450775
3-[(2S)-1-[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]piperidin-2-yl]propanoic acid
CID 124699674

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-1-[1-(5-chloro-2-pyridinyl)piperidine-4-carbonyl]piperidin-2-yl]propanoic acid?
The IUPAC name of 3-[(2S)-1-[1-(5-chloro-2-pyridinyl)piperidine-4-carbonyl]piperidin-2-yl]propanoic acid (CID 124705270) is 3-[(2S)-1-[1-(5-chloro-2-pyridinyl)piperidine-4-carbonyl]piperidin-2-yl]propanoic acid.
What is the SMILES notation for 3-[(2S)-1-[1-(5-chloro-2-pyridinyl)piperidine-4-carbonyl]piperidin-2-yl]propanoic acid?
The canonical SMILES for 3-[(2S)-1-[1-(5-chloro-2-pyridinyl)piperidine-4-carbonyl]piperidin-2-yl]propanoic acid is O=C(O)CC[C@@H]1CCCCN1C(=O)C1CCN(c2ccc(Cl)cn2)CC1.
What is the InChIKey of 3-[(2S)-1-[1-(5-chloro-2-pyridinyl)piperidine-4-carbonyl]piperidin-2-yl]propanoic acid?
The InChIKey is JATBVEGUCMXEPY-INIZCTEOSA-N. The full InChI is InChI=1S/C19H26ClN3O3/c20-15-4-6-17(21-13-15)22-11-8-14(9-12-22)19(26)23-10-2-1-3-16(23)5-7-18(24)25/h4,6,13-14,16H,1-3,5,7-12H2,(H,24,25)/t16-/m0/s1.
What are the key properties of 3-[(2S)-1-[1-(5-chloro-2-pyridinyl)piperidine-4-carbonyl]piperidin-2-yl]propanoic acid?
3-[(2S)-1-[1-(5-chloro-2-pyridinyl)piperidine-4-carbonyl]piperidin-2-yl]propanoic acid has a molecular weight of 379.89 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-1-[1-(5-chloro-2-pyridinyl)piperidine-4-carbonyl]piperidin-2-yl]propanoic acid is sourced from PubChem (CID 124705270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).