1-[(3S)-3-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]piperazin-1-yl]ethanone

C11H21N3O2 — CID 70162239

IUPAC1-[(3S)-3-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN[C@@H](CN2CC[C@H](O)C2)C1
InChIInChI=1S/C11H21N3O2/c1-9(15)14-5-3-12-10(7-14)6-13-4-2-11(16)8-13/h10-12,16H,2-8H2,1H3/t10-,11-/m0/s1
InChIKeyKVBBXRVJJFLPRK-QWRGUYRKSA-N
MW227.31 g/mol
LogP-1.13
Rot. Bonds2

About 1-[(3S)-3-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]piperazin-1-yl]ethanone

1-[(3S)-3-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]piperazin-1-yl]ethanone (PubChem CID 70162239) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 1-[(3S)-3-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3S)-3-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]piperazin-1-yl]ethanone
PubChem CID70162239
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name1-[(3S)-3-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN[C@@H](CN2CC[C@H](O)C2)C1
InChIInChI=1S/C11H21N3O2/c1-9(15)14-5-3-12-10(7-14)6-13-4-2-11(16)8-13/h10-12,16H,2-8H2,1H3/t10-,11-/m0/s1
InChIKeyKVBBXRVJJFLPRK-QWRGUYRKSA-N
XLogP-1.13
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-1.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-[(4-methylsulfonylpiperazin-2-yl)methyl]pyrrolidin-3-ol
CID 139920755
1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone
CID 55267746
1-[(3R)-3-pentylpiperazin-1-yl]ethanone
CID 11367628
1-(3-methylpiperazin-1-yl)ethanone
CID 10749289
3-[[(2R)-2-methylmorpholin-4-yl]methyl]piperazine-1-carboxylic acid
CID 175915905
1-[(3R)-3-benzylpiperazin-1-yl]ethanone
CID 94985339
1-(3-hydroxypyrrolidin-1-yl)propan-2-one
CID 23388482
(E)-3-[2-[4-[(4-acetylpiperazin-2-yl)methyl]piperazin-1-yl]phenyl]-N-hydroxyprop-2-enamide
CID 155210638
5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyrrolidin-2-one
CID 103668847
1-(3-benzylpiperazin-1-yl)ethanone;hydrochloride
CID 75366058
acetonitrile;1-[4-acetyl-2-[(3-hydroxypyrrolidin-1-yl)methyl]piperazin-1-yl]-2-(3,4-dichlorophenyl)ethanone;1,4-dibenzyl-2-(chloromethyl)piperazine;(3R)-1-[(1,4-dibenzylpiperazin-2-yl)methyl]pyrrolidin-3-ol;1-[3-[(3-hydroxypyrrolidin-1-yl)methyl]piperazin-1-yl]ethanone;(3R)-1-(piperazin-2-ylmethyl)pyrrolidin-3-ol
CID 158148308
2,2,2-trifluoro-1-[(3R)-3-(pyrrolidin-1-ylmethyl)piperazin-1-yl]ethanone
CID 21336766

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[(3S)-3-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]piperazin-1-yl]ethanone (CID 70162239) is 1-[(3S)-3-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[(3S)-3-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[(3S)-3-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]piperazin-1-yl]ethanone is CC(=O)N1CCN[C@@H](CN2CC[C@H](O)C2)C1.
What is the InChIKey of 1-[(3S)-3-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]piperazin-1-yl]ethanone?
The InChIKey is KVBBXRVJJFLPRK-QWRGUYRKSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-9(15)14-5-3-12-10(7-14)6-13-4-2-11(16)8-13/h10-12,16H,2-8H2,1H3/t10-,11-/m0/s1.
What are the key properties of 1-[(3S)-3-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]piperazin-1-yl]ethanone?
1-[(3S)-3-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]piperazin-1-yl]ethanone has a molecular weight of 227.31 g/mol, XLogP of -1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 70162239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).