(2R)-N-[3-(4-methyl-3-oxopiperazine-1-carbonyl)phenyl]oxolane-2-carboxamide

C17H21N3O4 — CID 95775139

IUPAC(2R)-N-[3-(4-methyl-3-oxopiperazine-1-carbonyl)phenyl]oxolane-2-carboxamide
SMILESCN1CCN(C(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)CC1=O
InChIInChI=1S/C17H21N3O4/c1-19-7-8-20(11-15(19)21)17(23)12-4-2-5-13(10-12)18-16(22)14-6-3-9-24-14/h2,4-5,10,14H,3,6-9,11H2,1H3,(H,18,22)/t14-/m1/s1
InChIKeyXIHLRWIGGPMMGX-CQSZACIVSA-N
MW331.37 g/mol
LogP0.72
Rot. Bonds3

About (2R)-N-[3-(4-methyl-3-oxopiperazine-1-carbonyl)phenyl]oxolane-2-carboxamide

(2R)-N-[3-(4-methyl-3-oxopiperazine-1-carbonyl)phenyl]oxolane-2-carboxamide (PubChem CID 95775139) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is (2R)-N-[3-(4-methyl-3-oxopiperazine-1-carbonyl)phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[3-(4-methyl-3-oxopiperazine-1-carbonyl)phenyl]oxolane-2-carboxamide
PubChem CID95775139
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Name(2R)-N-[3-(4-methyl-3-oxopiperazine-1-carbonyl)phenyl]oxolane-2-carboxamide
SMILESCN1CCN(C(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)CC1=O
InChIInChI=1S/C17H21N3O4/c1-19-7-8-20(11-15(19)21)17(23)12-4-2-5-13(10-12)18-16(22)14-6-3-9-24-14/h2,4-5,10,14H,3,6-9,11H2,1H3,(H,18,22)/t14-/m1/s1
InChIKeyXIHLRWIGGPMMGX-CQSZACIVSA-N
XLogP0.72
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[4-(3-methylbenzoyl)-1,4-diazepane-1-carbonyl]phenyl]oxolane-2-carboxamide
CID 42949468
N-[3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide
CID 45179359
N-[3-(piperazine-1-carbonyl)phenyl]oxolane-2-carboxamide
CID 119403640
N-[3-(piperazine-1-carbonyl)phenyl]oxolane-2-carboxamide;hydrochloride
CID 119403639
N-[3-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]phenyl]acetamide
CID 55347361
(2S)-N-[3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide
CID 32678870
3-[[(2S)-oxolane-2-carbonyl]amino]benzoic acid
CID 839554
N-[3-[4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide
CID 55544186
N-[3-[4-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide
CID 46559932
(2R)-N-[3-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 94149541
(2S)-N-[3-[(3S)-3-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]piperidine-1-carbonyl]phenyl]oxolane-2-carboxamide
CID 124814920
(2S)-N-[3-[(3R)-3-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]piperidine-1-carbonyl]phenyl]oxolane-2-carboxamide
CID 52514050

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-(4-methyl-3-oxopiperazine-1-carbonyl)phenyl]oxolane-2-carboxamide?
The IUPAC name of (2R)-N-[3-(4-methyl-3-oxopiperazine-1-carbonyl)phenyl]oxolane-2-carboxamide (CID 95775139) is (2R)-N-[3-(4-methyl-3-oxopiperazine-1-carbonyl)phenyl]oxolane-2-carboxamide.
What is the SMILES notation for (2R)-N-[3-(4-methyl-3-oxopiperazine-1-carbonyl)phenyl]oxolane-2-carboxamide?
The canonical SMILES for (2R)-N-[3-(4-methyl-3-oxopiperazine-1-carbonyl)phenyl]oxolane-2-carboxamide is CN1CCN(C(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)CC1=O.
What is the InChIKey of (2R)-N-[3-(4-methyl-3-oxopiperazine-1-carbonyl)phenyl]oxolane-2-carboxamide?
The InChIKey is XIHLRWIGGPMMGX-CQSZACIVSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-19-7-8-20(11-15(19)21)17(23)12-4-2-5-13(10-12)18-16(22)14-6-3-9-24-14/h2,4-5,10,14H,3,6-9,11H2,1H3,(H,18,22)/t14-/m1/s1.
What are the key properties of (2R)-N-[3-(4-methyl-3-oxopiperazine-1-carbonyl)phenyl]oxolane-2-carboxamide?
(2R)-N-[3-(4-methyl-3-oxopiperazine-1-carbonyl)phenyl]oxolane-2-carboxamide has a molecular weight of 331.37 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-(4-methyl-3-oxopiperazine-1-carbonyl)phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 95775139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).