1-[2-[3-(2-hydroxyethyl)-4-(2-methylpropyl)piperazin-1-yl]-2-oxoethyl]piperidin-2-one

C17H31N3O3 — CID 131926510

IUPAC1-[2-[3-(2-hydroxyethyl)-4-(2-methylpropyl)piperazin-1-yl]-2-oxoethyl]piperidin-2-one
SMILESCC(C)CN1CCN(C(=O)CN2CCCCC2=O)CC1CCO
InChIInChI=1S/C17H31N3O3/c1-14(2)11-18-8-9-20(12-15(18)6-10-21)17(23)13-19-7-4-3-5-16(19)22/h14-15,21H,3-13H2,1-2H3
InChIKeyDNXGANNJXYANES-UHFFFAOYSA-N
MW325.45 g/mol
LogP0.55
Rot. Bonds6

About 1-[2-[3-(2-hydroxyethyl)-4-(2-methylpropyl)piperazin-1-yl]-2-oxoethyl]piperidin-2-one

1-[2-[3-(2-hydroxyethyl)-4-(2-methylpropyl)piperazin-1-yl]-2-oxoethyl]piperidin-2-one (PubChem CID 131926510) has the molecular formula C17H31N3O3 and a molecular weight of 325.45 g/mol. Its IUPAC name is 1-[2-[3-(2-hydroxyethyl)-4-(2-methylpropyl)piperazin-1-yl]-2-oxoethyl]piperidin-2-one.

Molecular Properties

Compound Name1-[2-[3-(2-hydroxyethyl)-4-(2-methylpropyl)piperazin-1-yl]-2-oxoethyl]piperidin-2-one
PubChem CID131926510
Molecular FormulaC17H31N3O3
Molecular Weight325.45 g/mol
Exact Mass325.24
IUPAC Name1-[2-[3-(2-hydroxyethyl)-4-(2-methylpropyl)piperazin-1-yl]-2-oxoethyl]piperidin-2-one
SMILESCC(C)CN1CCN(C(=O)CN2CCCCC2=O)CC1CCO
InChIInChI=1S/C17H31N3O3/c1-14(2)11-18-8-9-20(12-15(18)6-10-21)17(23)13-19-7-4-3-5-16(19)22/h14-15,21H,3-13H2,1-2H3
InChIKeyDNXGANNJXYANES-UHFFFAOYSA-N
XLogP0.55
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-oxo-2-(3-pyrrolidin-1-ylazepan-1-yl)ethyl]azocan-2-one
CID 56783393
1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]piperidin-2-one
CID 110689775
(2,3-dichlorophenyl)-[3-(2-hydroxyethyl)-4-(2-methylpropyl)piperazin-1-yl]methanone
CID 91836240
methyl 1-[2-(2-oxopyrrolidin-1-yl)acetyl]pyrrolidine-3-carboxylate
CID 112733697
1-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]piperidin-2-one
CID 62024110
(9aR)-2-[2-(2-oxopiperidin-1-yl)acetyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one
CID 95123551
1-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]azepan-2-one
CID 54878752
1-[2-(3,4-dihydroxypyrrolidin-1-yl)-2-oxoethyl]pyrrolidin-2-one
CID 106671974
1-[2-(4-amino-3-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidin-2-one
CID 79868594
(2-fluoro-6-hydroxyphenyl)-[(3R)-3-(2-hydroxyethyl)-4-(2-methylpropyl)piperazin-1-yl]methanone
CID 124680191
methyl (3S,4R)-3-methyl-1-[2-(2-oxoazocan-1-yl)acetyl]piperidine-4-carboxylate
CID 124619916
2-[1-(2-methylpropyl)piperidin-2-yl]ethanol
CID 62021194

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(2-hydroxyethyl)-4-(2-methylpropyl)piperazin-1-yl]-2-oxoethyl]piperidin-2-one?
The IUPAC name of 1-[2-[3-(2-hydroxyethyl)-4-(2-methylpropyl)piperazin-1-yl]-2-oxoethyl]piperidin-2-one (CID 131926510) is 1-[2-[3-(2-hydroxyethyl)-4-(2-methylpropyl)piperazin-1-yl]-2-oxoethyl]piperidin-2-one.
What is the SMILES notation for 1-[2-[3-(2-hydroxyethyl)-4-(2-methylpropyl)piperazin-1-yl]-2-oxoethyl]piperidin-2-one?
The canonical SMILES for 1-[2-[3-(2-hydroxyethyl)-4-(2-methylpropyl)piperazin-1-yl]-2-oxoethyl]piperidin-2-one is CC(C)CN1CCN(C(=O)CN2CCCCC2=O)CC1CCO.
What is the InChIKey of 1-[2-[3-(2-hydroxyethyl)-4-(2-methylpropyl)piperazin-1-yl]-2-oxoethyl]piperidin-2-one?
The InChIKey is DNXGANNJXYANES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O3/c1-14(2)11-18-8-9-20(12-15(18)6-10-21)17(23)13-19-7-4-3-5-16(19)22/h14-15,21H,3-13H2,1-2H3.
What are the key properties of 1-[2-[3-(2-hydroxyethyl)-4-(2-methylpropyl)piperazin-1-yl]-2-oxoethyl]piperidin-2-one?
1-[2-[3-(2-hydroxyethyl)-4-(2-methylpropyl)piperazin-1-yl]-2-oxoethyl]piperidin-2-one has a molecular weight of 325.45 g/mol, XLogP of 0.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(2-hydroxyethyl)-4-(2-methylpropyl)piperazin-1-yl]-2-oxoethyl]piperidin-2-one is sourced from PubChem (CID 131926510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).