(2S)-N-cyclopentyl-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)propanamide

C19H27N2O+ — CID 8513050

IUPAC(2S)-N-cyclopentyl-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)propanamide
SMILESC[C@@H](C(=O)NC1CCCC1)[NH+]1CC=C(c2ccccc2)CC1
InChIInChI=1S/C19H26N2O/c1-15(19(22)20-18-9-5-6-10-18)21-13-11-17(12-14-21)16-7-3-2-4-8-16/h2-4,7-8,11,15,18H,5-6,9-10,12-14H2,1H3,(H,20,22)/p+1/t15-/m0/s1
InChIKeyUOYNKUQVGJHXRT-HNNXBMFYSA-O
MW299.44 g/mol
LogP1.81
Rot. Bonds4

About (2S)-N-cyclopentyl-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)propanamide

(2S)-N-cyclopentyl-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)propanamide (PubChem CID 8513050) has the molecular formula C19H27N2O+ and a molecular weight of 299.44 g/mol. Its IUPAC name is (2S)-N-cyclopentyl-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-cyclopentyl-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)propanamide
PubChem CID8513050
Molecular FormulaC19H27N2O+
Molecular Weight299.44 g/mol
Exact Mass299.21
IUPAC Name(2S)-N-cyclopentyl-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)propanamide
SMILESC[C@@H](C(=O)NC1CCCC1)[NH+]1CC=C(c2ccccc2)CC1
InChIInChI=1S/C19H26N2O/c1-15(19(22)20-18-9-5-6-10-18)21-13-11-17(12-14-21)16-7-3-2-4-8-16/h2-4,7-8,11,15,18H,5-6,9-10,12-14H2,1H3,(H,20,22)/p+1/t15-/m0/s1
InChIKeyUOYNKUQVGJHXRT-HNNXBMFYSA-O
XLogP1.81
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-N-[(1R,2R)-2-methylcyclohexyl]-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)propanamide
CID 8759089
(2R)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)propanamide
CID 9495190
(2S)-N-(3-chloro-4-cyanophenyl)-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)propanamide
CID 9495238
1-[(2S)-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)propanoyl]imidazolidin-2-one
CID 8754338
(2R)-N-(cyclohexylcarbamoyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanamide
CID 8896865
(2S)-N-cyclopentyl-2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]propanamide
CID 9257102
(2S)-N-(2-methoxy-5-nitrophenyl)-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)propanamide
CID 8512960
(2R)-N-cyclopentyl-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide
CID 8512706
(2S)-N-cyclopentyl-2-(4-phenylphenoxy)propanamide
CID 7868566
(2R)-N-cyclopentyl-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide
CID 8514498
(2S)-N-cyclopentyl-2-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]propanamide
CID 2454173
(2S)-2-[4-(4-acetylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclopentylpropanamide
CID 9337827

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopentyl-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)propanamide?
The IUPAC name of (2S)-N-cyclopentyl-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)propanamide (CID 8513050) is (2S)-N-cyclopentyl-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)propanamide.
What is the SMILES notation for (2S)-N-cyclopentyl-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)propanamide?
The canonical SMILES for (2S)-N-cyclopentyl-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)propanamide is C[C@@H](C(=O)NC1CCCC1)[NH+]1CC=C(c2ccccc2)CC1.
What is the InChIKey of (2S)-N-cyclopentyl-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)propanamide?
The InChIKey is UOYNKUQVGJHXRT-HNNXBMFYSA-O. The full InChI is InChI=1S/C19H26N2O/c1-15(19(22)20-18-9-5-6-10-18)21-13-11-17(12-14-21)16-7-3-2-4-8-16/h2-4,7-8,11,15,18H,5-6,9-10,12-14H2,1H3,(H,20,22)/p+1/t15-/m0/s1.
What are the key properties of (2S)-N-cyclopentyl-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)propanamide?
(2S)-N-cyclopentyl-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)propanamide has a molecular weight of 299.44 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopentyl-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)propanamide is sourced from PubChem (CID 8513050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).