4-[[(3R)-pyrrolidin-3-yl]methyl]piperazin-2-one

C9H17N3O — CID 86323546

IUPAC4-[[(3R)-pyrrolidin-3-yl]methyl]piperazin-2-one
SMILESO=C1CN(C[C@@H]2CCNC2)CCN1
InChIInChI=1S/C9H17N3O/c13-9-7-12(4-3-11-9)6-8-1-2-10-5-8/h8,10H,1-7H2,(H,11,13)/t8-/m1/s1
InChIKeyYCCKXFSAJUILFH-MRVPVSSYSA-N
MW183.25 g/mol
LogP-0.97
Rot. Bonds2

About 4-[[(3R)-pyrrolidin-3-yl]methyl]piperazin-2-one

4-[[(3R)-pyrrolidin-3-yl]methyl]piperazin-2-one (PubChem CID 86323546) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 4-[[(3R)-pyrrolidin-3-yl]methyl]piperazin-2-one.

Molecular Properties

Compound Name4-[[(3R)-pyrrolidin-3-yl]methyl]piperazin-2-one
PubChem CID86323546
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name4-[[(3R)-pyrrolidin-3-yl]methyl]piperazin-2-one
SMILESO=C1CN(C[C@@H]2CCNC2)CCN1
InChIInChI=1S/C9H17N3O/c13-9-7-12(4-3-11-9)6-8-1-2-10-5-8/h8,10H,1-7H2,(H,11,13)/t8-/m1/s1
InChIKeyYCCKXFSAJUILFH-MRVPVSSYSA-N
XLogP-0.97
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 5-0.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(3R)-5-oxopyrrolidin-3-yl]methyl]piperazin-2-one
CID 129355482
1-(piperidin-3-ylmethyl)-1,4-diazepan-5-one
CID 63004638
4-[[(1R)-3,3-difluorocyclopentyl]methyl]piperazin-2-one
CID 129348358
4-(aminomethyl)piperazin-2-one
CID 170083985
1-[[(3R)-pyrrolidin-3-yl]methyl]pyrrolidine
CID 58880458
1-[[(3R)-pyrrolidin-3-yl]methyl]piperidine
CID 86311653
1-(piperidin-3-ylmethyl)pyrrolidin-3-one;hydrochloride
CID 115031072
4-(piperidin-2-ylmethyl)piperazin-2-one;hydrochloride
CID 156593487
1-[[(3R)-pyrrolidin-3-yl]methyl]piperidin-4-ol
CID 86323550
1-methyl-4-(pyrrolidin-3-ylmethyl)piperazine
CID 14627372
4-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]piperazin-2-one
CID 50971793
4-[(2,2-difluorocyclopentyl)methyl]piperazin-2-one
CID 126793831

Frequently Asked Questions

What is the IUPAC name of 4-[[(3R)-pyrrolidin-3-yl]methyl]piperazin-2-one?
The IUPAC name of 4-[[(3R)-pyrrolidin-3-yl]methyl]piperazin-2-one (CID 86323546) is 4-[[(3R)-pyrrolidin-3-yl]methyl]piperazin-2-one.
What is the SMILES notation for 4-[[(3R)-pyrrolidin-3-yl]methyl]piperazin-2-one?
The canonical SMILES for 4-[[(3R)-pyrrolidin-3-yl]methyl]piperazin-2-one is O=C1CN(C[C@@H]2CCNC2)CCN1.
What is the InChIKey of 4-[[(3R)-pyrrolidin-3-yl]methyl]piperazin-2-one?
The InChIKey is YCCKXFSAJUILFH-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H17N3O/c13-9-7-12(4-3-11-9)6-8-1-2-10-5-8/h8,10H,1-7H2,(H,11,13)/t8-/m1/s1.
What are the key properties of 4-[[(3R)-pyrrolidin-3-yl]methyl]piperazin-2-one?
4-[[(3R)-pyrrolidin-3-yl]methyl]piperazin-2-one has a molecular weight of 183.25 g/mol, XLogP of -0.97, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3R)-pyrrolidin-3-yl]methyl]piperazin-2-one is sourced from PubChem (CID 86323546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).