4-(hydroxymethyl)-1-[1-(3-methylbutyl)piperidin-3-yl]pyrrolidin-2-one

C15H28N2O2 — CID 117005709

IUPAC4-(hydroxymethyl)-1-[1-(3-methylbutyl)piperidin-3-yl]pyrrolidin-2-one
SMILESCC(C)CCN1CCCC(N2CC(CO)CC2=O)C1
InChIInChI=1S/C15H28N2O2/c1-12(2)5-7-16-6-3-4-14(10-16)17-9-13(11-18)8-15(17)19/h12-14,18H,3-11H2,1-2H3
InChIKeyHLFMOPDZFGIHHY-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.34
Rot. Bonds5

About 4-(hydroxymethyl)-1-[1-(3-methylbutyl)piperidin-3-yl]pyrrolidin-2-one

4-(hydroxymethyl)-1-[1-(3-methylbutyl)piperidin-3-yl]pyrrolidin-2-one (PubChem CID 117005709) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 4-(hydroxymethyl)-1-[1-(3-methylbutyl)piperidin-3-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(hydroxymethyl)-1-[1-(3-methylbutyl)piperidin-3-yl]pyrrolidin-2-one
PubChem CID117005709
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name4-(hydroxymethyl)-1-[1-(3-methylbutyl)piperidin-3-yl]pyrrolidin-2-one
SMILESCC(C)CCN1CCCC(N2CC(CO)CC2=O)C1
InChIInChI=1S/C15H28N2O2/c1-12(2)5-7-16-6-3-4-14(10-16)17-9-13(11-18)8-15(17)19/h12-14,18H,3-11H2,1-2H3
InChIKeyHLFMOPDZFGIHHY-UHFFFAOYSA-N
XLogP1.34
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(Hydroxymethyl)-1-Isopropylpyrrolidin-2-One
CID 21331355
1-Cyclohexyl-4-(hydroxymethyl)pyrrolidin-2-one
CID 24275516
(S)-1-((1S,5R)-2-aza-bicyclo[3.1.0]hexan-2-yl)-2-amino-4-hydroxybutan-1-one
CID 44433943
cyclobutyl-[(3S,4S)-3-(dimethylamino)-4-(hydroxymethyl)piperidin-1-yl]methanone
CID 110197494
cyclopropyl-[(3S,4S)-3-(dimethylamino)-4-(hydroxymethyl)piperidin-1-yl]methanone
CID 110197493
cyclopentyl[(3S,4S)-3-(dimethylamino)-4-(hydroxymethyl)tetrahydro-1(2H)-pyridinyl]methanone
CID 110197498
1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-methyl-2-piperidin-1-ylbutan-1-one
CID 71983023
1-[(3S,4R)-3-(dimethylamino)-4-(hydroxymethyl)pyrrolidin-1-yl]-2-ethylbutan-1-one
CID 124049898
cyclobutyl-[(3S,4R)-3-(dimethylamino)-4-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 124049957
1-[(3S,4R)-3-(dimethylamino)-4-(hydroxymethyl)pyrrolidin-1-yl]butan-1-one
CID 124050082
[(3S,4R)-3-(dimethylamino)-4-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylpiperidin-4-yl)methanone
CID 124078005
1-[(R)-2-{[4-(hydroxymethyl)-1-piperidyl]methyl}-1-pyrrolidinyl]-1-ethanone
CID 100665546

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-1-[1-(3-methylbutyl)piperidin-3-yl]pyrrolidin-2-one?
The IUPAC name of 4-(hydroxymethyl)-1-[1-(3-methylbutyl)piperidin-3-yl]pyrrolidin-2-one (CID 117005709) is 4-(hydroxymethyl)-1-[1-(3-methylbutyl)piperidin-3-yl]pyrrolidin-2-one.
What is the SMILES notation for 4-(hydroxymethyl)-1-[1-(3-methylbutyl)piperidin-3-yl]pyrrolidin-2-one?
The canonical SMILES for 4-(hydroxymethyl)-1-[1-(3-methylbutyl)piperidin-3-yl]pyrrolidin-2-one is CC(C)CCN1CCCC(N2CC(CO)CC2=O)C1.
What is the InChIKey of 4-(hydroxymethyl)-1-[1-(3-methylbutyl)piperidin-3-yl]pyrrolidin-2-one?
The InChIKey is HLFMOPDZFGIHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-12(2)5-7-16-6-3-4-14(10-16)17-9-13(11-18)8-15(17)19/h12-14,18H,3-11H2,1-2H3.
What are the key properties of 4-(hydroxymethyl)-1-[1-(3-methylbutyl)piperidin-3-yl]pyrrolidin-2-one?
4-(hydroxymethyl)-1-[1-(3-methylbutyl)piperidin-3-yl]pyrrolidin-2-one has a molecular weight of 268.40 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-1-[1-(3-methylbutyl)piperidin-3-yl]pyrrolidin-2-one is sourced from PubChem (CID 117005709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).