(2S)-2-ethyl-N-(4-methoxy-3-propan-2-yloxyphenyl)-3-oxopiperazine-1-carboxamide

C17H25N3O4 — CID 129471674

IUPAC(2S)-2-ethyl-N-(4-methoxy-3-propan-2-yloxyphenyl)-3-oxopiperazine-1-carboxamide
SMILESCC[C@H]1C(=O)NCCN1C(=O)Nc1ccc(OC)c(OC(C)C)c1
InChIInChI=1S/C17H25N3O4/c1-5-13-16(21)18-8-9-20(13)17(22)19-12-6-7-14(23-4)15(10-12)24-11(2)3/h6-7,10-11,13H,5,8-9H2,1-4H3,(H,18,21)(H,19,22)/t13-/m0/s1
InChIKeyHZOAUULKIXTZOD-ZDUSSCGKSA-N
MW335.40 g/mol
LogP2.22
Rot. Bonds5

About (2S)-2-ethyl-N-(4-methoxy-3-propan-2-yloxyphenyl)-3-oxopiperazine-1-carboxamide

(2S)-2-ethyl-N-(4-methoxy-3-propan-2-yloxyphenyl)-3-oxopiperazine-1-carboxamide (PubChem CID 129471674) has the molecular formula C17H25N3O4 and a molecular weight of 335.40 g/mol. Its IUPAC name is (2S)-2-ethyl-N-(4-methoxy-3-propan-2-yloxyphenyl)-3-oxopiperazine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-ethyl-N-(4-methoxy-3-propan-2-yloxyphenyl)-3-oxopiperazine-1-carboxamide
PubChem CID129471674
Molecular FormulaC17H25N3O4
Molecular Weight335.40 g/mol
Exact Mass335.18
IUPAC Name(2S)-2-ethyl-N-(4-methoxy-3-propan-2-yloxyphenyl)-3-oxopiperazine-1-carboxamide
SMILESCC[C@H]1C(=O)NCCN1C(=O)Nc1ccc(OC)c(OC(C)C)c1
InChIInChI=1S/C17H25N3O4/c1-5-13-16(21)18-8-9-20(13)17(22)19-12-6-7-14(23-4)15(10-12)24-11(2)3/h6-7,10-11,13H,5,8-9H2,1-4H3,(H,18,21)(H,19,22)/t13-/m0/s1
InChIKeyHZOAUULKIXTZOD-ZDUSSCGKSA-N
XLogP2.22
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(aminomethyl)phenyl]-2-ethyl-3-oxopiperazine-1-carboxamide
CID 63604915
(9aR)-N-(3,4-dimethoxyphenyl)-9-oxo-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide
CID 95136455
methyl 2-[(2R)-1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
CID 8561434
(2S)-N-(3,4-dichlorophenyl)-2-[2-(2-methoxyanilino)-2-oxoethyl]-3-oxopiperazine-1-carboxamide
CID 2014037
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
(2S)-N-(2-methyl-1,3-benzoxazol-5-yl)-2-(2-methylpropyl)-3-oxopiperazine-1-carboxamide
CID 99825783
(2S)-N-(1-methyl-2,3-dihydroindol-6-yl)-2-(2-methylpropyl)-3-oxopiperazine-1-carboxamide
CID 99826139
N-(2-chloropropanoyl)-2-ethyl-3-oxopiperazine-1-carboxamide
CID 55215582
1-[(3-methoxy-4-propan-2-yloxyphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 122090112
2-ethyl-N-(6-methyl-2-pyridinyl)-3-oxopiperazine-1-carboxamide
CID 75484734
(2R)-2-ethyl-3-oxo-N-[2-(3-phenylpropoxy)phenyl]piperazine-1-carboxamide
CID 125159496

Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethyl-N-(4-methoxy-3-propan-2-yloxyphenyl)-3-oxopiperazine-1-carboxamide?
The IUPAC name of (2S)-2-ethyl-N-(4-methoxy-3-propan-2-yloxyphenyl)-3-oxopiperazine-1-carboxamide (CID 129471674) is (2S)-2-ethyl-N-(4-methoxy-3-propan-2-yloxyphenyl)-3-oxopiperazine-1-carboxamide.
What is the SMILES notation for (2S)-2-ethyl-N-(4-methoxy-3-propan-2-yloxyphenyl)-3-oxopiperazine-1-carboxamide?
The canonical SMILES for (2S)-2-ethyl-N-(4-methoxy-3-propan-2-yloxyphenyl)-3-oxopiperazine-1-carboxamide is CC[C@H]1C(=O)NCCN1C(=O)Nc1ccc(OC)c(OC(C)C)c1.
What is the InChIKey of (2S)-2-ethyl-N-(4-methoxy-3-propan-2-yloxyphenyl)-3-oxopiperazine-1-carboxamide?
The InChIKey is HZOAUULKIXTZOD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H25N3O4/c1-5-13-16(21)18-8-9-20(13)17(22)19-12-6-7-14(23-4)15(10-12)24-11(2)3/h6-7,10-11,13H,5,8-9H2,1-4H3,(H,18,21)(H,19,22)/t13-/m0/s1.
What are the key properties of (2S)-2-ethyl-N-(4-methoxy-3-propan-2-yloxyphenyl)-3-oxopiperazine-1-carboxamide?
(2S)-2-ethyl-N-(4-methoxy-3-propan-2-yloxyphenyl)-3-oxopiperazine-1-carboxamide has a molecular weight of 335.40 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethyl-N-(4-methoxy-3-propan-2-yloxyphenyl)-3-oxopiperazine-1-carboxamide is sourced from PubChem (CID 129471674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).