(2R)-2-ethyl-N-[(2S)-2-methoxy-2-phenylethyl]-3-oxopiperazine-1-carboxamide

C16H23N3O3 — CID 95759828

IUPAC(2R)-2-ethyl-N-[(2S)-2-methoxy-2-phenylethyl]-3-oxopiperazine-1-carboxamide
SMILESCC[C@@H]1C(=O)NCCN1C(=O)NC[C@@H](OC)c1ccccc1
InChIInChI=1S/C16H23N3O3/c1-3-13-15(20)17-9-10-19(13)16(21)18-11-14(22-2)12-7-5-4-6-8-12/h4-8,13-14H,3,9-11H2,1-2H3,(H,17,20)(H,18,21)/t13-,14-/m1/s1
InChIKeyRKKMUBNBKZEOJW-ZIAGYGMSSA-N
MW305.38 g/mol
LogP1.29
Rot. Bonds5

About (2R)-2-ethyl-N-[(2S)-2-methoxy-2-phenylethyl]-3-oxopiperazine-1-carboxamide

(2R)-2-ethyl-N-[(2S)-2-methoxy-2-phenylethyl]-3-oxopiperazine-1-carboxamide (PubChem CID 95759828) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is (2R)-2-ethyl-N-[(2S)-2-methoxy-2-phenylethyl]-3-oxopiperazine-1-carboxamide.

Molecular Properties

Compound Name(2R)-2-ethyl-N-[(2S)-2-methoxy-2-phenylethyl]-3-oxopiperazine-1-carboxamide
PubChem CID95759828
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name(2R)-2-ethyl-N-[(2S)-2-methoxy-2-phenylethyl]-3-oxopiperazine-1-carboxamide
SMILESCC[C@@H]1C(=O)NCCN1C(=O)NC[C@@H](OC)c1ccccc1
InChIInChI=1S/C16H23N3O3/c1-3-13-15(20)17-9-10-19(13)16(21)18-11-14(22-2)12-7-5-4-6-8-12/h4-8,13-14H,3,9-11H2,1-2H3,(H,17,20)(H,18,21)/t13-,14-/m1/s1
InChIKeyRKKMUBNBKZEOJW-ZIAGYGMSSA-N
XLogP1.29
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(2,2-diphenylpropyl)-2-ethyl-3-oxopiperazine-1-carboxamide
CID 125435737
2-(hydroxymethyl)-N-(2-methoxy-2-phenylethyl)pyrrolidine-1-carboxamide
CID 111427848
(2R)-2-ethyl-3-oxo-N-[2-(3-phenylpropoxy)phenyl]piperazine-1-carboxamide
CID 125159496
N-[4-(aminomethyl)phenyl]-2-ethyl-3-oxopiperazine-1-carboxamide
CID 63604915
methyl 2-[3-oxo-1-(phenylcarbamoyl)piperazin-2-yl]acetate
CID 656047
N-[2-(3,5-dimethoxyphenyl)ethyl]-2-ethyl-3-oxopiperazine-1-carboxamide
CID 119065569
3-ethyl-4-(2-methylbenzoyl)piperazin-2-one
CID 63601884
3-ethyl-4-[2-(methylamino)benzoyl]piperazin-2-one
CID 63604913
(2R)-2-[(2-ethyl-3-oxopiperazine-1-carbonyl)amino]pentanoic acid
CID 107566992
3-ethyl-4-(1-phenylcyclopropanecarbonyl)piperazin-2-one
CID 63600480
4-[(2-ethyl-3-oxopiperazine-1-carbonyl)amino]-4-oxobut-2-enoic acid
CID 77000526
4-[(2-ethyl-3-oxopiperazine-1-carbonyl)amino]-4-oxobutanoic acid
CID 63605268

Frequently Asked Questions

What is the IUPAC name of (2R)-2-ethyl-N-[(2S)-2-methoxy-2-phenylethyl]-3-oxopiperazine-1-carboxamide?
The IUPAC name of (2R)-2-ethyl-N-[(2S)-2-methoxy-2-phenylethyl]-3-oxopiperazine-1-carboxamide (CID 95759828) is (2R)-2-ethyl-N-[(2S)-2-methoxy-2-phenylethyl]-3-oxopiperazine-1-carboxamide.
What is the SMILES notation for (2R)-2-ethyl-N-[(2S)-2-methoxy-2-phenylethyl]-3-oxopiperazine-1-carboxamide?
The canonical SMILES for (2R)-2-ethyl-N-[(2S)-2-methoxy-2-phenylethyl]-3-oxopiperazine-1-carboxamide is CC[C@@H]1C(=O)NCCN1C(=O)NC[C@@H](OC)c1ccccc1.
What is the InChIKey of (2R)-2-ethyl-N-[(2S)-2-methoxy-2-phenylethyl]-3-oxopiperazine-1-carboxamide?
The InChIKey is RKKMUBNBKZEOJW-ZIAGYGMSSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-3-13-15(20)17-9-10-19(13)16(21)18-11-14(22-2)12-7-5-4-6-8-12/h4-8,13-14H,3,9-11H2,1-2H3,(H,17,20)(H,18,21)/t13-,14-/m1/s1.
What are the key properties of (2R)-2-ethyl-N-[(2S)-2-methoxy-2-phenylethyl]-3-oxopiperazine-1-carboxamide?
(2R)-2-ethyl-N-[(2S)-2-methoxy-2-phenylethyl]-3-oxopiperazine-1-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethyl-N-[(2S)-2-methoxy-2-phenylethyl]-3-oxopiperazine-1-carboxamide is sourced from PubChem (CID 95759828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).