(2S)-N-(2-chlorophenyl)-2-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propanamide

C20H22ClN5O — CID 100857802

IUPAC(2S)-N-(2-chlorophenyl)-2-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propanamide
SMILESC[C@@H](C(=O)Nc1ccccc1Cl)N1CCC[C@@H](c2nnc3ccccn23)C1
InChIInChI=1S/C20H22ClN5O/c1-14(20(27)22-17-9-3-2-8-16(17)21)25-11-6-7-15(13-25)19-24-23-18-10-4-5-12-26(18)19/h2-5,8-10,12,14-15H,6-7,11,13H2,1H3,(H,22,27)/t14-,15+/m0/s1
InChIKeySBYJYWIHRYCPIM-LSDHHAIUSA-N
MW383.88 g/mol
LogP3.59
Rot. Bonds4

About (2S)-N-(2-chlorophenyl)-2-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propanamide

(2S)-N-(2-chlorophenyl)-2-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propanamide (PubChem CID 100857802) has the molecular formula C20H22ClN5O and a molecular weight of 383.88 g/mol. Its IUPAC name is (2S)-N-(2-chlorophenyl)-2-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-(2-chlorophenyl)-2-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propanamide
PubChem CID100857802
Molecular FormulaC20H22ClN5O
Molecular Weight383.88 g/mol
Exact Mass383.15
IUPAC Name(2S)-N-(2-chlorophenyl)-2-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propanamide
SMILESC[C@@H](C(=O)Nc1ccccc1Cl)N1CCC[C@@H](c2nnc3ccccn23)C1
InChIInChI=1S/C20H22ClN5O/c1-14(20(27)22-17-9-3-2-8-16(17)21)25-11-6-7-15(13-25)19-24-23-18-10-4-5-12-26(18)19/h2-5,8-10,12,14-15H,6-7,11,13H2,1H3,(H,22,27)/t14-,15+/m0/s1
InChIKeySBYJYWIHRYCPIM-LSDHHAIUSA-N
XLogP3.59
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.88
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-(2-chlorophenyl)-2-[(3R)-3-methylpiperidin-1-yl]propanamide
CID 9275425
2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2-chlorophenyl)propanamide
CID 46402796
(2S)-N-(2-chlorophenyl)-2-[(3R)-3-phenylpyrrolidin-1-yl]propanamide
CID 95272026
N-(2,4-difluorophenyl)-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propanamide
CID 119038879
(3R)-N-(4-methylpentyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide
CID 94030932
(2S)-N-(3-chlorophenyl)-2-[(3R)-3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]propanamide
CID 100850691
N-naphthalen-1-yl-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide
CID 17457885
N-cyclopropyl-2-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]propanamide
CID 78828019
N-(2-chlorophenyl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)propanamide
CID 51086745
N-(2,3-dichlorophenyl)-2-(3-hydroxypiperidin-1-yl)propanamide
CID 47103111
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propanamide
CID 78842126
methyl 2-[[2-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetyl]amino]benzoate
CID 119039032

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-chlorophenyl)-2-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propanamide?
The IUPAC name of (2S)-N-(2-chlorophenyl)-2-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propanamide (CID 100857802) is (2S)-N-(2-chlorophenyl)-2-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propanamide.
What is the SMILES notation for (2S)-N-(2-chlorophenyl)-2-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propanamide?
The canonical SMILES for (2S)-N-(2-chlorophenyl)-2-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propanamide is C[C@@H](C(=O)Nc1ccccc1Cl)N1CCC[C@@H](c2nnc3ccccn23)C1.
What is the InChIKey of (2S)-N-(2-chlorophenyl)-2-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propanamide?
The InChIKey is SBYJYWIHRYCPIM-LSDHHAIUSA-N. The full InChI is InChI=1S/C20H22ClN5O/c1-14(20(27)22-17-9-3-2-8-16(17)21)25-11-6-7-15(13-25)19-24-23-18-10-4-5-12-26(18)19/h2-5,8-10,12,14-15H,6-7,11,13H2,1H3,(H,22,27)/t14-,15+/m0/s1.
What are the key properties of (2S)-N-(2-chlorophenyl)-2-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propanamide?
(2S)-N-(2-chlorophenyl)-2-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propanamide has a molecular weight of 383.88 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-chlorophenyl)-2-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propanamide is sourced from PubChem (CID 100857802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).