(2S)-2-amino-N-ethyl-4-[(2S)-2-methylpiperidin-1-yl]pent-4-enamide

C13H25N3O — CID 142558346

IUPAC(2S)-2-amino-N-ethyl-4-[(2S)-2-methylpiperidin-1-yl]pent-4-enamide
SMILESC=C(C[C@H](N)C(=O)NCC)N1CCCC[C@@H]1C
InChIInChI=1S/C13H25N3O/c1-4-15-13(17)12(14)9-11(3)16-8-6-5-7-10(16)2/h10,12H,3-9,14H2,1-2H3,(H,15,17)/t10-,12-/m0/s1
InChIKeyCXRISIRNKIAANC-JQWIXIFHSA-N
MW239.36 g/mol
LogP1.23
Rot. Bonds5

About (2S)-2-amino-N-ethyl-4-[(2S)-2-methylpiperidin-1-yl]pent-4-enamide

(2S)-2-amino-N-ethyl-4-[(2S)-2-methylpiperidin-1-yl]pent-4-enamide (PubChem CID 142558346) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is (2S)-2-amino-N-ethyl-4-[(2S)-2-methylpiperidin-1-yl]pent-4-enamide.

Molecular Properties

Compound Name(2S)-2-amino-N-ethyl-4-[(2S)-2-methylpiperidin-1-yl]pent-4-enamide
PubChem CID142558346
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name(2S)-2-amino-N-ethyl-4-[(2S)-2-methylpiperidin-1-yl]pent-4-enamide
SMILESC=C(C[C@H](N)C(=O)NCC)N1CCCC[C@@H]1C
InChIInChI=1S/C13H25N3O/c1-4-15-13(17)12(14)9-11(3)16-8-6-5-7-10(16)2/h10,12H,3-9,14H2,1-2H3,(H,15,17)/t10-,12-/m0/s1
InChIKeyCXRISIRNKIAANC-JQWIXIFHSA-N
XLogP1.23
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-but-1-en-2-yl-2-methylpyrrolidine
CID 134863512
(2R)-2-amino-4-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]pentanamide
CID 104902575
2-(2-aminobutylsulfanyl)-1-(2-methylpiperidin-1-yl)ethanone
CID 66227995
N-butan-2-yl-2-methylpiperidine-1-carboxamide
CID 45366573
2-amino-1-(2-methylpiperidin-1-yl)ethanone
CID 24708863
ethane;1-(2-methylpiperidin-1-yl)ethanone;propane
CID 169253047
(2R)-2-amino-3-cyclopropyl-N-ethylpropanamide
CID 82668057
4-amino-5-[3-(2-methylpiperidin-1-yl)propylamino]-5-oxopentanoic acid
CID 64894440
2-methyl-N-prop-1-en-2-ylpiperidine-1-carboxamide
CID 108910296
1-ethyl-2-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]-3-propan-2-ylguanidine;hydroiodide
CID 111126138
(2S)-1-(ethylcarbamoyl)piperidine-2-carboxylic acid
CID 66264798
(2R)-N-(ethylcarbamoyl)-2-[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]propanamide
CID 36900917

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-ethyl-4-[(2S)-2-methylpiperidin-1-yl]pent-4-enamide?
The IUPAC name of (2S)-2-amino-N-ethyl-4-[(2S)-2-methylpiperidin-1-yl]pent-4-enamide (CID 142558346) is (2S)-2-amino-N-ethyl-4-[(2S)-2-methylpiperidin-1-yl]pent-4-enamide.
What is the SMILES notation for (2S)-2-amino-N-ethyl-4-[(2S)-2-methylpiperidin-1-yl]pent-4-enamide?
The canonical SMILES for (2S)-2-amino-N-ethyl-4-[(2S)-2-methylpiperidin-1-yl]pent-4-enamide is C=C(C[C@H](N)C(=O)NCC)N1CCCC[C@@H]1C.
What is the InChIKey of (2S)-2-amino-N-ethyl-4-[(2S)-2-methylpiperidin-1-yl]pent-4-enamide?
The InChIKey is CXRISIRNKIAANC-JQWIXIFHSA-N. The full InChI is InChI=1S/C13H25N3O/c1-4-15-13(17)12(14)9-11(3)16-8-6-5-7-10(16)2/h10,12H,3-9,14H2,1-2H3,(H,15,17)/t10-,12-/m0/s1.
What are the key properties of (2S)-2-amino-N-ethyl-4-[(2S)-2-methylpiperidin-1-yl]pent-4-enamide?
(2S)-2-amino-N-ethyl-4-[(2S)-2-methylpiperidin-1-yl]pent-4-enamide has a molecular weight of 239.36 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-ethyl-4-[(2S)-2-methylpiperidin-1-yl]pent-4-enamide is sourced from PubChem (CID 142558346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).