(2S)-N-(3-acetylphenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide

C17H25N2O2+ — CID 8903613

IUPAC(2S)-N-(3-acetylphenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide
SMILESCC(=O)c1cccc(NC(=O)[C@H](C)[NH+]2CCC[C@H](C)C2)c1
InChIInChI=1S/C17H24N2O2/c1-12-6-5-9-19(11-12)13(2)17(21)18-16-8-4-7-15(10-16)14(3)20/h4,7-8,10,12-13H,5-6,9,11H2,1-3H3,(H,18,21)/p+1/t12-,13-/m0/s1
InChIKeyFJNWYMRKGDNDLF-STQMWFEESA-O
MW289.40 g/mol
LogP1.53
Rot. Bonds4

About (2S)-N-(3-acetylphenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide

(2S)-N-(3-acetylphenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide (PubChem CID 8903613) has the molecular formula C17H25N2O2+ and a molecular weight of 289.40 g/mol. Its IUPAC name is (2S)-N-(3-acetylphenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-(3-acetylphenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide
PubChem CID8903613
Molecular FormulaC17H25N2O2+
Molecular Weight289.40 g/mol
Exact Mass289.19
IUPAC Name(2S)-N-(3-acetylphenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide
SMILESCC(=O)c1cccc(NC(=O)[C@H](C)[NH+]2CCC[C@H](C)C2)c1
InChIInChI=1S/C17H24N2O2/c1-12-6-5-9-19(11-12)13(2)17(21)18-16-8-4-7-15(10-16)14(3)20/h4,7-8,10,12-13H,5-6,9,11H2,1-3H3,(H,18,21)/p+1/t12-,13-/m0/s1
InChIKeyFJNWYMRKGDNDLF-STQMWFEESA-O
XLogP1.53
TPSA50.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-(3-acetylphenyl)-2-(4-acetylpiperazin-1-ium-1-yl)propanamide
CID 8904387
(2S)-N-(3-chloro-4-cyanophenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide
CID 9275660
(3S)-1-[(2S)-1-(3-methylanilino)-1-oxopropan-2-yl]piperidin-1-ium-3-carboxamide
CID 9304736
(3S)-1-[(2R)-1-(3-methylanilino)-1-oxopropan-2-yl]piperidin-1-ium-3-carboxamide
CID 9304733
(2S)-N-(3-acetylphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide
CID 8903614
(2R)-N-(3-acetylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide
CID 2612747
(3S)-1-[(2S)-1-(3-methoxyanilino)-1-oxopropan-2-yl]piperidin-1-ium-3-carboxamide
CID 9304786
(2S)-N-(3-acetylphenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide
CID 8547240
(2R)-N-(3-acetylphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propanamide
CID 8745871
(2S)-N-(3-acetylphenyl)-2-[4-[(3-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]propanamide
CID 9258737
[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] cyclopentanecarboxylate
CID 7717472
(2R)-N-(3-acetylphenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]propanamide
CID 9130126

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-acetylphenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide?
The IUPAC name of (2S)-N-(3-acetylphenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide (CID 8903613) is (2S)-N-(3-acetylphenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide.
What is the SMILES notation for (2S)-N-(3-acetylphenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide?
The canonical SMILES for (2S)-N-(3-acetylphenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide is CC(=O)c1cccc(NC(=O)[C@H](C)[NH+]2CCC[C@H](C)C2)c1.
What is the InChIKey of (2S)-N-(3-acetylphenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide?
The InChIKey is FJNWYMRKGDNDLF-STQMWFEESA-O. The full InChI is InChI=1S/C17H24N2O2/c1-12-6-5-9-19(11-12)13(2)17(21)18-16-8-4-7-15(10-16)14(3)20/h4,7-8,10,12-13H,5-6,9,11H2,1-3H3,(H,18,21)/p+1/t12-,13-/m0/s1.
What are the key properties of (2S)-N-(3-acetylphenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide?
(2S)-N-(3-acetylphenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide has a molecular weight of 289.40 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-acetylphenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide is sourced from PubChem (CID 8903613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).