(2S)-N,N-dimethylpyrrolidine-2-carboxamide;ethane;morpholin-3-one;piperidin-2-one

C20H42N4O4 — CID 145026759

IUPAC(2S)-N,N-dimethylpyrrolidine-2-carboxamide;ethane;morpholin-3-one;piperidin-2-one
SMILESCC.CC.CN(C)C(=O)[C@@H]1CCCN1.O=C1CCCCN1.O=C1COCCN1
InChIInChI=1S/C7H14N2O.C5H9NO.C4H7NO2.2C2H6/c1-9(2)7(10)6-4-3-5-8-6;7-5-3-1-2-4-6-5;6-4-3-7-2-1-5-4;2*1-2/h6,8H,3-5H2,1-2H3;1-4H2,(H,6,7);1-3H2,(H,5,6);2*1-2H3/t6-;;;;/m0..../s1
InChIKeyYIIBOYSZGZQEHJ-MAJYTBHHSA-N
MW402.58 g/mol
LogP1.30
Rot. Bonds1

About (2S)-N,N-dimethylpyrrolidine-2-carboxamide;ethane;morpholin-3-one;piperidin-2-one

(2S)-N,N-dimethylpyrrolidine-2-carboxamide;ethane;morpholin-3-one;piperidin-2-one (PubChem CID 145026759) has the molecular formula C20H42N4O4 and a molecular weight of 402.58 g/mol. Its IUPAC name is (2S)-N,N-dimethylpyrrolidine-2-carboxamide;ethane;morpholin-3-one;piperidin-2-one.

Molecular Properties

Compound Name(2S)-N,N-dimethylpyrrolidine-2-carboxamide;ethane;morpholin-3-one;piperidin-2-one
PubChem CID145026759
Molecular FormulaC20H42N4O4
Molecular Weight402.58 g/mol
Exact Mass402.32
IUPAC Name(2S)-N,N-dimethylpyrrolidine-2-carboxamide;ethane;morpholin-3-one;piperidin-2-one
SMILESCC.CC.CN(C)C(=O)[C@@H]1CCCN1.O=C1CCCCN1.O=C1COCCN1
InChIInChI=1S/C7H14N2O.C5H9NO.C4H7NO2.2C2H6/c1-9(2)7(10)6-4-3-5-8-6;7-5-3-1-2-4-6-5;6-4-3-7-2-1-5-4;2*1-2/h6,8H,3-5H2,1-2H3;1-4H2,(H,6,7);1-3H2,(H,5,6);2*1-2H3/t6-;;;;/m0..../s1
InChIKeyYIIBOYSZGZQEHJ-MAJYTBHHSA-N
XLogP1.30
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.58
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-N,N-dimethylpyrrolidine-2-carboxamide;ethane;morpholin-3-one;piperidin-2-one?
The IUPAC name of (2S)-N,N-dimethylpyrrolidine-2-carboxamide;ethane;morpholin-3-one;piperidin-2-one (CID 145026759) is (2S)-N,N-dimethylpyrrolidine-2-carboxamide;ethane;morpholin-3-one;piperidin-2-one.
What is the SMILES notation for (2S)-N,N-dimethylpyrrolidine-2-carboxamide;ethane;morpholin-3-one;piperidin-2-one?
The canonical SMILES for (2S)-N,N-dimethylpyrrolidine-2-carboxamide;ethane;morpholin-3-one;piperidin-2-one is CC.CC.CN(C)C(=O)[C@@H]1CCCN1.O=C1CCCCN1.O=C1COCCN1.
What is the InChIKey of (2S)-N,N-dimethylpyrrolidine-2-carboxamide;ethane;morpholin-3-one;piperidin-2-one?
The InChIKey is YIIBOYSZGZQEHJ-MAJYTBHHSA-N. The full InChI is InChI=1S/C7H14N2O.C5H9NO.C4H7NO2.2C2H6/c1-9(2)7(10)6-4-3-5-8-6;7-5-3-1-2-4-6-5;6-4-3-7-2-1-5-4;2*1-2/h6,8H,3-5H2,1-2H3;1-4H2,(H,6,7);1-3H2,(H,5,6);2*1-2H3/t6-;;;;/m0..../s1.
What are the key properties of (2S)-N,N-dimethylpyrrolidine-2-carboxamide;ethane;morpholin-3-one;piperidin-2-one?
(2S)-N,N-dimethylpyrrolidine-2-carboxamide;ethane;morpholin-3-one;piperidin-2-one has a molecular weight of 402.58 g/mol, XLogP of 1.30, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,N-dimethylpyrrolidine-2-carboxamide;ethane;morpholin-3-one;piperidin-2-one is sourced from PubChem (CID 145026759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).