1-butan-2-ylpyrrolidin-2-one;1-(3-methylpiperidin-1-yl)ethanone;1-morpholin-4-ylethanone;1-piperazin-1-ylethanone

C28H53N5O5 — CID 158569366

IUPAC1-butan-2-ylpyrrolidin-2-one;1-(3-methylpiperidin-1-yl)ethanone;1-morpholin-4-ylethanone;1-piperazin-1-ylethanone
SMILESCC(=O)N1CCCC(C)C1.CC(=O)N1CCNCC1.CC(=O)N1CCOCC1.CCC(C)N1CCCC1=O
InChIInChI=1S/2C8H15NO.C6H12N2O.C6H11NO2/c1-7-4-3-5-9(6-7)8(2)10;1-3-7(2)9-6-4-5-8(9)10;1-6(9)8-4-2-7-3-5-8;1-6(8)7-2-4-9-5-3-7/h2*7H,3-6H2,1-2H3;7H,2-5H2,1H3;2-5H2,1H3
InChIKeyHRWURJDWFQREKB-UHFFFAOYSA-N
MW539.76 g/mol
LogP1.98
Rot. Bonds2

About 1-butan-2-ylpyrrolidin-2-one;1-(3-methylpiperidin-1-yl)ethanone;1-morpholin-4-ylethanone;1-piperazin-1-ylethanone

1-butan-2-ylpyrrolidin-2-one;1-(3-methylpiperidin-1-yl)ethanone;1-morpholin-4-ylethanone;1-piperazin-1-ylethanone (PubChem CID 158569366) has the molecular formula C28H53N5O5 and a molecular weight of 539.76 g/mol. Its IUPAC name is 1-butan-2-ylpyrrolidin-2-one;1-(3-methylpiperidin-1-yl)ethanone;1-morpholin-4-ylethanone;1-piperazin-1-ylethanone.

Molecular Properties

Compound Name1-butan-2-ylpyrrolidin-2-one;1-(3-methylpiperidin-1-yl)ethanone;1-morpholin-4-ylethanone;1-piperazin-1-ylethanone
PubChem CID158569366
Molecular FormulaC28H53N5O5
Molecular Weight539.76 g/mol
Exact Mass539.40
IUPAC Name1-butan-2-ylpyrrolidin-2-one;1-(3-methylpiperidin-1-yl)ethanone;1-morpholin-4-ylethanone;1-piperazin-1-ylethanone
SMILESCC(=O)N1CCCC(C)C1.CC(=O)N1CCNCC1.CC(=O)N1CCOCC1.CCC(C)N1CCCC1=O
InChIInChI=1S/2C8H15NO.C6H12N2O.C6H11NO2/c1-7-4-3-5-9(6-7)8(2)10;1-3-7(2)9-6-4-5-8(9)10;1-6(9)8-4-2-7-3-5-8;1-6(8)7-2-4-9-5-3-7/h2*7H,3-6H2,1-2H3;7H,2-5H2,1H3;2-5H2,1H3
InChIKeyHRWURJDWFQREKB-UHFFFAOYSA-N
XLogP1.98
TPSA102.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500539.76
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2,2-Dimethylpropyl)-3-{2-[4-(morpholin-4-ylcarbonyl)piperidin-1-yl]-2-oxoethyl}piperazin-2-one
CID 16188943
1-(4-methylpiperidin-1-yl)sulfonyl-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide
CID 3415217
4-(3-Methylbutyl)-3-{2-[4-(4-morpholinylmethyl)-1-piperidinyl]-2-oxoethyl}-2-piperazinone
CID 45209618
N-methyl-2-[3-(morpholin-4-ylcarbonyl)-1,4'-bipiperidin-1'-yl]acetamide
CID 70787894
2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide
CID 71150328
(3S)-1-[(2S)-4-methyl-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperidin-1-yl]-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one
CID 138685703
(3S)-1-[4-methyl-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperidin-1-yl]-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one
CID 138685706
2-methyl-1-[4-[4-[[(2S,6R)-6-methylmorpholin-2-yl]methyl]piperazin-1-yl]piperidin-1-yl]propan-1-one
CID 141468226
2-methyl-1-[4-[1-[[(2S,6R)-6-methylmorpholin-2-yl]methyl]piperidin-4-yl]piperazin-1-yl]propan-1-one
CID 141468260
Ethane;4-(3-piperidin-4-ylpropyl)morpholine;1-(3-piperidin-4-ylpropyl)pyrrolidin-2-one
CID 141886154
2-amino-N,3-dimethyl-N-(2-morpholin-4-ylethyl)pentanamide;2-amino-3-methyl-N-(2-methyl-1-morpholin-4-yl-1-oxopropan-2-yl)pentanamide;ethane;2-[ethyl(methyl)amino]-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide
CID 142295483
2-amino-3-methyl-N-(2-morpholin-4-yl-2-oxoethyl)pentanamide;2-amino-3-methyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)pentanamide;2-amino-3-methyl-N-(1-morpholin-4-ylpropan-2-yl)pentanamide
CID 142295488

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-ylpyrrolidin-2-one;1-(3-methylpiperidin-1-yl)ethanone;1-morpholin-4-ylethanone;1-piperazin-1-ylethanone?
The IUPAC name of 1-butan-2-ylpyrrolidin-2-one;1-(3-methylpiperidin-1-yl)ethanone;1-morpholin-4-ylethanone;1-piperazin-1-ylethanone (CID 158569366) is 1-butan-2-ylpyrrolidin-2-one;1-(3-methylpiperidin-1-yl)ethanone;1-morpholin-4-ylethanone;1-piperazin-1-ylethanone.
What is the SMILES notation for 1-butan-2-ylpyrrolidin-2-one;1-(3-methylpiperidin-1-yl)ethanone;1-morpholin-4-ylethanone;1-piperazin-1-ylethanone?
The canonical SMILES for 1-butan-2-ylpyrrolidin-2-one;1-(3-methylpiperidin-1-yl)ethanone;1-morpholin-4-ylethanone;1-piperazin-1-ylethanone is CC(=O)N1CCCC(C)C1.CC(=O)N1CCNCC1.CC(=O)N1CCOCC1.CCC(C)N1CCCC1=O.
What is the InChIKey of 1-butan-2-ylpyrrolidin-2-one;1-(3-methylpiperidin-1-yl)ethanone;1-morpholin-4-ylethanone;1-piperazin-1-ylethanone?
The InChIKey is HRWURJDWFQREKB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H15NO.C6H12N2O.C6H11NO2/c1-7-4-3-5-9(6-7)8(2)10;1-3-7(2)9-6-4-5-8(9)10;1-6(9)8-4-2-7-3-5-8;1-6(8)7-2-4-9-5-3-7/h2*7H,3-6H2,1-2H3;7H,2-5H2,1H3;2-5H2,1H3.
What are the key properties of 1-butan-2-ylpyrrolidin-2-one;1-(3-methylpiperidin-1-yl)ethanone;1-morpholin-4-ylethanone;1-piperazin-1-ylethanone?
1-butan-2-ylpyrrolidin-2-one;1-(3-methylpiperidin-1-yl)ethanone;1-morpholin-4-ylethanone;1-piperazin-1-ylethanone has a molecular weight of 539.76 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-ylpyrrolidin-2-one;1-(3-methylpiperidin-1-yl)ethanone;1-morpholin-4-ylethanone;1-piperazin-1-ylethanone is sourced from PubChem (CID 158569366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).