ethyl 2-[3-[[(2S)-1-acetylpiperidine-2-carbonyl]amino]phenyl]acetate

C18H24N2O4 — CID 125135845

IUPACethyl 2-[3-[[(2S)-1-acetylpiperidine-2-carbonyl]amino]phenyl]acetate
SMILESCCOC(=O)Cc1cccc(NC(=O)[C@@H]2CCCCN2C(C)=O)c1
InChIInChI=1S/C18H24N2O4/c1-3-24-17(22)12-14-7-6-8-15(11-14)19-18(23)16-9-4-5-10-20(16)13(2)21/h6-8,11,16H,3-5,9-10,12H2,1-2H3,(H,19,23)/t16-/m0/s1
InChIKeyJPUWADLQWWEWFH-INIZCTEOSA-N
MW332.40 g/mol
LogP2.13
Rot. Bonds5

About ethyl 2-[3-[[(2S)-1-acetylpiperidine-2-carbonyl]amino]phenyl]acetate

ethyl 2-[3-[[(2S)-1-acetylpiperidine-2-carbonyl]amino]phenyl]acetate (PubChem CID 125135845) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is ethyl 2-[3-[[(2S)-1-acetylpiperidine-2-carbonyl]amino]phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-[[(2S)-1-acetylpiperidine-2-carbonyl]amino]phenyl]acetate
PubChem CID125135845
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Nameethyl 2-[3-[[(2S)-1-acetylpiperidine-2-carbonyl]amino]phenyl]acetate
SMILESCCOC(=O)Cc1cccc(NC(=O)[C@@H]2CCCCN2C(C)=O)c1
InChIInChI=1S/C18H24N2O4/c1-3-24-17(22)12-14-7-6-8-15(11-14)19-18(23)16-9-4-5-10-20(16)13(2)21/h6-8,11,16H,3-5,9-10,12H2,1-2H3,(H,19,23)/t16-/m0/s1
InChIKeyJPUWADLQWWEWFH-INIZCTEOSA-N
XLogP2.13
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-[[(2S)-1-acetylpiperidine-2-carbonyl]amino]phenyl]acetate?
The IUPAC name of ethyl 2-[3-[[(2S)-1-acetylpiperidine-2-carbonyl]amino]phenyl]acetate (CID 125135845) is ethyl 2-[3-[[(2S)-1-acetylpiperidine-2-carbonyl]amino]phenyl]acetate.
What is the SMILES notation for ethyl 2-[3-[[(2S)-1-acetylpiperidine-2-carbonyl]amino]phenyl]acetate?
The canonical SMILES for ethyl 2-[3-[[(2S)-1-acetylpiperidine-2-carbonyl]amino]phenyl]acetate is CCOC(=O)Cc1cccc(NC(=O)[C@@H]2CCCCN2C(C)=O)c1.
What is the InChIKey of ethyl 2-[3-[[(2S)-1-acetylpiperidine-2-carbonyl]amino]phenyl]acetate?
The InChIKey is JPUWADLQWWEWFH-INIZCTEOSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-3-24-17(22)12-14-7-6-8-15(11-14)19-18(23)16-9-4-5-10-20(16)13(2)21/h6-8,11,16H,3-5,9-10,12H2,1-2H3,(H,19,23)/t16-/m0/s1.
What are the key properties of ethyl 2-[3-[[(2S)-1-acetylpiperidine-2-carbonyl]amino]phenyl]acetate?
ethyl 2-[3-[[(2S)-1-acetylpiperidine-2-carbonyl]amino]phenyl]acetate has a molecular weight of 332.40 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-[[(2S)-1-acetylpiperidine-2-carbonyl]amino]phenyl]acetate is sourced from PubChem (CID 125135845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).