1-[4-(4-hydroxy-3,3,4-trimethylpiperidin-1-yl)-4-oxobutyl]pyrrolidin-2-one

C16H28N2O3 — CID 156603888

IUPAC1-[4-(4-hydroxy-3,3,4-trimethylpiperidin-1-yl)-4-oxobutyl]pyrrolidin-2-one
SMILESCC1(C)CN(C(=O)CCCN2CCCC2=O)CCC1(C)O
InChIInChI=1S/C16H28N2O3/c1-15(2)12-18(11-8-16(15,3)21)14(20)7-5-10-17-9-4-6-13(17)19/h21H,4-12H2,1-3H3
InChIKeyNZFZHUAFFFJCHH-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.40
Rot. Bonds4

About 1-[4-(4-hydroxy-3,3,4-trimethylpiperidin-1-yl)-4-oxobutyl]pyrrolidin-2-one

1-[4-(4-hydroxy-3,3,4-trimethylpiperidin-1-yl)-4-oxobutyl]pyrrolidin-2-one (PubChem CID 156603888) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-[4-(4-hydroxy-3,3,4-trimethylpiperidin-1-yl)-4-oxobutyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-(4-hydroxy-3,3,4-trimethylpiperidin-1-yl)-4-oxobutyl]pyrrolidin-2-one
PubChem CID156603888
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name1-[4-(4-hydroxy-3,3,4-trimethylpiperidin-1-yl)-4-oxobutyl]pyrrolidin-2-one
SMILESCC1(C)CN(C(=O)CCCN2CCCC2=O)CCC1(C)O
InChIInChI=1S/C16H28N2O3/c1-15(2)12-18(11-8-16(15,3)21)14(20)7-5-10-17-9-4-6-13(17)19/h21H,4-12H2,1-3H3
InChIKeyNZFZHUAFFFJCHH-UHFFFAOYSA-N
XLogP1.40
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(4S)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]-2-oxoethyl]piperidin-2-one
CID 72869531
1'-[4-(2-oxopyrrolidin-1-yl)butanoyl]spiro[4,5-dihydro-2H-2-benzazepine-3,3'-pyrrolidine]-1-one
CID 110235907
1-methyl-4-[4-(2-oxopyrrolidin-1-yl)butanoyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72879992
1-methyl-4-[4-(2-oxopyrrolidin-1-yl)butanoyl]piperazine-2-carboxylic acid
CID 56702528
1-[2-(3-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidin-2-one
CID 115875098
N-[(1-methylcyclopentyl)methyl]-4-(2-oxopiperidin-1-yl)butanamide
CID 131926304
1-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-4-piperidin-1-ylbutan-1-one
CID 72930128
1-(3,5-dimethylphenyl)-4-[4-(2-oxopyrrolidin-1-yl)butanoyl]piperazin-2-one
CID 70758198
1-[4-[4-(oxan-4-yl)piperazin-1-yl]-4-oxobutyl]pyrrolidin-2-one
CID 131949700
4-(2-oxopiperidin-1-yl)butanoic acid
CID 12842029
1-[4-[(6S)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-4-oxobutyl]piperidin-2-one
CID 95724682
1-[3-[9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-3-oxopropyl]azepan-2-one
CID 45201205

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-hydroxy-3,3,4-trimethylpiperidin-1-yl)-4-oxobutyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-(4-hydroxy-3,3,4-trimethylpiperidin-1-yl)-4-oxobutyl]pyrrolidin-2-one (CID 156603888) is 1-[4-(4-hydroxy-3,3,4-trimethylpiperidin-1-yl)-4-oxobutyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-(4-hydroxy-3,3,4-trimethylpiperidin-1-yl)-4-oxobutyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-(4-hydroxy-3,3,4-trimethylpiperidin-1-yl)-4-oxobutyl]pyrrolidin-2-one is CC1(C)CN(C(=O)CCCN2CCCC2=O)CCC1(C)O.
What is the InChIKey of 1-[4-(4-hydroxy-3,3,4-trimethylpiperidin-1-yl)-4-oxobutyl]pyrrolidin-2-one?
The InChIKey is NZFZHUAFFFJCHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-15(2)12-18(11-8-16(15,3)21)14(20)7-5-10-17-9-4-6-13(17)19/h21H,4-12H2,1-3H3.
What are the key properties of 1-[4-(4-hydroxy-3,3,4-trimethylpiperidin-1-yl)-4-oxobutyl]pyrrolidin-2-one?
1-[4-(4-hydroxy-3,3,4-trimethylpiperidin-1-yl)-4-oxobutyl]pyrrolidin-2-one has a molecular weight of 296.41 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-hydroxy-3,3,4-trimethylpiperidin-1-yl)-4-oxobutyl]pyrrolidin-2-one is sourced from PubChem (CID 156603888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).