(2S)-1-[2-[4-(4-ethoxyphenoxy)anilino]-2-oxoethyl]piperidine-2-carboxamide

C22H27N3O4 — CID 25444668

IUPAC(2S)-1-[2-[4-(4-ethoxyphenoxy)anilino]-2-oxoethyl]piperidine-2-carboxamide
SMILESCCOc1ccc(Oc2ccc(NC(=O)CN3CCCC[C@H]3C(N)=O)cc2)cc1
InChIInChI=1S/C22H27N3O4/c1-2-28-17-10-12-19(13-11-17)29-18-8-6-16(7-9-18)24-21(26)15-25-14-4-3-5-20(25)22(23)27/h6-13,20H,2-5,14-15H2,1H3,(H2,23,27)(H,24,26)/t20-/m0/s1
InChIKeyUKGFONWEYMTWKT-FQEVSTJZSA-N
MW397.48 g/mol
LogP3.16
Rot. Bonds8

About (2S)-1-[2-[4-(4-ethoxyphenoxy)anilino]-2-oxoethyl]piperidine-2-carboxamide

(2S)-1-[2-[4-(4-ethoxyphenoxy)anilino]-2-oxoethyl]piperidine-2-carboxamide (PubChem CID 25444668) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is (2S)-1-[2-[4-(4-ethoxyphenoxy)anilino]-2-oxoethyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[2-[4-(4-ethoxyphenoxy)anilino]-2-oxoethyl]piperidine-2-carboxamide
PubChem CID25444668
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC Name(2S)-1-[2-[4-(4-ethoxyphenoxy)anilino]-2-oxoethyl]piperidine-2-carboxamide
SMILESCCOc1ccc(Oc2ccc(NC(=O)CN3CCCC[C@H]3C(N)=O)cc2)cc1
InChIInChI=1S/C22H27N3O4/c1-2-28-17-10-12-19(13-11-17)29-18-8-6-16(7-9-18)24-21(26)15-25-14-4-3-5-20(25)22(23)27/h6-13,20H,2-5,14-15H2,1H3,(H2,23,27)(H,24,26)/t20-/m0/s1
InChIKeyUKGFONWEYMTWKT-FQEVSTJZSA-N
XLogP3.16
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethoxyphenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 8583349
(2S)-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-2-carboxamide
CID 41096237
(2R)-1-[2-(4-chloroanilino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 9405076
1-[2-(4-cyanoanilino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 43183672
(2R)-1-[2-(3-methylanilino)-2-oxoethyl]piperidine-2-carboxamide
CID 40987938
1-[2-[4-(4-ethoxyphenoxy)anilino]-2-oxoethyl]piperidin-1-ium-4-carboxamide
CID 8530759
(2S)-1-[2-(3-methyl-4-pyrrolidin-1-ylanilino)-2-oxoethyl]piperidine-2-carboxamide
CID 40792929
1-[(4-ethoxyphenyl)carbamoyl]piperidine-2-carboxylic acid
CID 61182203
[2-[4-(4-ethoxyphenoxy)anilino]-2-oxoethyl] cyclobutanecarboxylate
CID 8019701
(2S)-1-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]piperidine-2-carboxamide
CID 40918330
2-[4-[2-(4-ethoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 20970562
N-(4-ethoxyphenyl)-2-(4-methylpiperidin-1-yl)acetamide
CID 8544001

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-[4-(4-ethoxyphenoxy)anilino]-2-oxoethyl]piperidine-2-carboxamide?
The IUPAC name of (2S)-1-[2-[4-(4-ethoxyphenoxy)anilino]-2-oxoethyl]piperidine-2-carboxamide (CID 25444668) is (2S)-1-[2-[4-(4-ethoxyphenoxy)anilino]-2-oxoethyl]piperidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[2-[4-(4-ethoxyphenoxy)anilino]-2-oxoethyl]piperidine-2-carboxamide?
The canonical SMILES for (2S)-1-[2-[4-(4-ethoxyphenoxy)anilino]-2-oxoethyl]piperidine-2-carboxamide is CCOc1ccc(Oc2ccc(NC(=O)CN3CCCC[C@H]3C(N)=O)cc2)cc1.
What is the InChIKey of (2S)-1-[2-[4-(4-ethoxyphenoxy)anilino]-2-oxoethyl]piperidine-2-carboxamide?
The InChIKey is UKGFONWEYMTWKT-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H27N3O4/c1-2-28-17-10-12-19(13-11-17)29-18-8-6-16(7-9-18)24-21(26)15-25-14-4-3-5-20(25)22(23)27/h6-13,20H,2-5,14-15H2,1H3,(H2,23,27)(H,24,26)/t20-/m0/s1.
What are the key properties of (2S)-1-[2-[4-(4-ethoxyphenoxy)anilino]-2-oxoethyl]piperidine-2-carboxamide?
(2S)-1-[2-[4-(4-ethoxyphenoxy)anilino]-2-oxoethyl]piperidine-2-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 3.16, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-[4-(4-ethoxyphenoxy)anilino]-2-oxoethyl]piperidine-2-carboxamide is sourced from PubChem (CID 25444668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).