(3S)-1-[2-(2-ethoxyanilino)-2-oxoethyl]piperidine-3-carboxamide

C16H23N3O3 — CID 9305506

IUPAC(3S)-1-[2-(2-ethoxyanilino)-2-oxoethyl]piperidine-3-carboxamide
SMILESCCOc1ccccc1NC(=O)CN1CCC[C@H](C(N)=O)C1
InChIInChI=1S/C16H23N3O3/c1-2-22-14-8-4-3-7-13(14)18-15(20)11-19-9-5-6-12(10-19)16(17)21/h3-4,7-8,12H,2,5-6,9-11H2,1H3,(H2,17,21)(H,18,20)/t12-/m0/s1
InChIKeyGDCZFGMJZDYPHE-LBPRGKRZSA-N
MW305.38 g/mol
LogP1.22
Rot. Bonds6

About (3S)-1-[2-(2-ethoxyanilino)-2-oxoethyl]piperidine-3-carboxamide

(3S)-1-[2-(2-ethoxyanilino)-2-oxoethyl]piperidine-3-carboxamide (PubChem CID 9305506) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is (3S)-1-[2-(2-ethoxyanilino)-2-oxoethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[2-(2-ethoxyanilino)-2-oxoethyl]piperidine-3-carboxamide
PubChem CID9305506
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name(3S)-1-[2-(2-ethoxyanilino)-2-oxoethyl]piperidine-3-carboxamide
SMILESCCOc1ccccc1NC(=O)CN1CCC[C@H](C(N)=O)C1
InChIInChI=1S/C16H23N3O3/c1-2-22-14-8-4-3-7-13(14)18-15(20)11-19-9-5-6-12(10-19)16(17)21/h3-4,7-8,12H,2,5-6,9-11H2,1H3,(H2,17,21)(H,18,20)/t12-/m0/s1
InChIKeyGDCZFGMJZDYPHE-LBPRGKRZSA-N
XLogP1.22
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-[2-oxo-2-(2-propan-2-ylanilino)ethyl]piperidine-3-carboxamide
CID 9305645
2-[3-(2-aminoethyl)piperidin-1-yl]-N-(2-ethoxyphenyl)acetamide;hydrochloride
CID 120728365
(3S)-1-[2-(2-fluoroanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 9305796
2-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-N-(2-ethoxyphenyl)acetamide
CID 55864159
ethyl 1-[2-(2-chloroanilino)-2-oxoethyl]piperidine-3-carboxylate
CID 51170832
ethyl (3S)-1-[2-oxo-2-(2-propan-2-ylanilino)ethyl]piperidine-3-carboxylate
CID 8532875
N-(2-ethoxyphenyl)-2-(4-ethylpiperazin-1-yl)acetamide
CID 6469217
N-(2-methoxyphenyl)-2-[3-(piperidine-1-carbonyl)piperidin-1-yl]acetamide
CID 166601980
1-benzyl-N-(2-ethoxyphenyl)piperidine-3-carboxamide
CID 43919718
ethyl (3R)-1-[2-(2-iodoanilino)-2-oxoethyl]piperidine-3-carboxylate
CID 8533163
(3R)-1-benzyl-N-(2-ethoxyphenyl)piperidine-3-carboxamide
CID 93490668
ethyl (3R)-1-[2-(2-bromoanilino)-2-oxoethyl]piperidine-3-carboxylate
CID 8533058

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-(2-ethoxyanilino)-2-oxoethyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[2-(2-ethoxyanilino)-2-oxoethyl]piperidine-3-carboxamide (CID 9305506) is (3S)-1-[2-(2-ethoxyanilino)-2-oxoethyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[2-(2-ethoxyanilino)-2-oxoethyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[2-(2-ethoxyanilino)-2-oxoethyl]piperidine-3-carboxamide is CCOc1ccccc1NC(=O)CN1CCC[C@H](C(N)=O)C1.
What is the InChIKey of (3S)-1-[2-(2-ethoxyanilino)-2-oxoethyl]piperidine-3-carboxamide?
The InChIKey is GDCZFGMJZDYPHE-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-2-22-14-8-4-3-7-13(14)18-15(20)11-19-9-5-6-12(10-19)16(17)21/h3-4,7-8,12H,2,5-6,9-11H2,1H3,(H2,17,21)(H,18,20)/t12-/m0/s1.
What are the key properties of (3S)-1-[2-(2-ethoxyanilino)-2-oxoethyl]piperidine-3-carboxamide?
(3S)-1-[2-(2-ethoxyanilino)-2-oxoethyl]piperidine-3-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-(2-ethoxyanilino)-2-oxoethyl]piperidine-3-carboxamide is sourced from PubChem (CID 9305506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).