2-[4-[3-(hydroxymethyl)-4-pyridinyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone

C16H24N4O2 — CID 136568130

IUPAC2-[4-[3-(hydroxymethyl)-4-pyridinyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
SMILESO=C(CN1CCN(c2ccncc2CO)CC1)N1CCCC1
InChIInChI=1S/C16H24N4O2/c21-13-14-11-17-4-3-15(14)19-9-7-18(8-10-19)12-16(22)20-5-1-2-6-20/h3-4,11,21H,1-2,5-10,12-13H2
InChIKeyYARBWRIJKDYZNH-UHFFFAOYSA-N
MW304.39 g/mol
LogP0.32
Rot. Bonds4

About 2-[4-[3-(hydroxymethyl)-4-pyridinyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone

2-[4-[3-(hydroxymethyl)-4-pyridinyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone (PubChem CID 136568130) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-[4-[3-(hydroxymethyl)-4-pyridinyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[4-[3-(hydroxymethyl)-4-pyridinyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
PubChem CID136568130
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name2-[4-[3-(hydroxymethyl)-4-pyridinyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
SMILESO=C(CN1CCN(c2ccncc2CO)CC1)N1CCCC1
InChIInChI=1S/C16H24N4O2/c21-13-14-11-17-4-3-15(14)19-9-7-18(8-10-19)12-16(22)20-5-1-2-6-20/h3-4,11,21H,1-2,5-10,12-13H2
InChIKeyYARBWRIJKDYZNH-UHFFFAOYSA-N
XLogP0.32
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[3-(hydroxymethyl)-4-pyridinyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 136568171
2-[4-[3-(hydroxymethyl)-4-pyridinyl]-1,4-diazepan-1-yl]ethanol
CID 107225535
[4-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]methanol
CID 81237350
[4-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]methanol
CID 81238726
[4-[3-(hydroxymethyl)-4-pyridinyl]piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 138022493
2-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 133351714
2-[4-(6-methylquinolin-4-yl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 133467687
1-piperidin-1-yl-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 78782292
[4-(4-morpholin-4-ylsulfonylpiperazin-1-yl)-3-pyridinyl]methanol
CID 167865189
2-(1,3-dihydroisoindol-2-yl)-1-[4-(3-methyl-4-pyridinyl)-1,4-diazepan-1-yl]ethanone;formic acid
CID 154911934
4-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 81232649
2-[(3S)-3-(pyridin-3-ylmethyl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 124995664

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(hydroxymethyl)-4-pyridinyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[4-[3-(hydroxymethyl)-4-pyridinyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone (CID 136568130) is 2-[4-[3-(hydroxymethyl)-4-pyridinyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[4-[3-(hydroxymethyl)-4-pyridinyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[4-[3-(hydroxymethyl)-4-pyridinyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone is O=C(CN1CCN(c2ccncc2CO)CC1)N1CCCC1.
What is the InChIKey of 2-[4-[3-(hydroxymethyl)-4-pyridinyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone?
The InChIKey is YARBWRIJKDYZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c21-13-14-11-17-4-3-15(14)19-9-7-18(8-10-19)12-16(22)20-5-1-2-6-20/h3-4,11,21H,1-2,5-10,12-13H2.
What are the key properties of 2-[4-[3-(hydroxymethyl)-4-pyridinyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone?
2-[4-[3-(hydroxymethyl)-4-pyridinyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone has a molecular weight of 304.39 g/mol, XLogP of 0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(hydroxymethyl)-4-pyridinyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 136568130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).