1-[[1-(cyclopentylmethyl)piperidin-4-yl]methyl]piperazine-2,3-dione

C16H27N3O2 — CID 45281022

IUPAC1-[[1-(cyclopentylmethyl)piperidin-4-yl]methyl]piperazine-2,3-dione
SMILESO=C1NCCN(CC2CCN(CC3CCCC3)CC2)C1=O
InChIInChI=1S/C16H27N3O2/c20-15-16(21)19(10-7-17-15)12-14-5-8-18(9-6-14)11-13-3-1-2-4-13/h13-14H,1-12H2,(H,17,20)
InChIKeyOIPZWKQZFQDJFB-UHFFFAOYSA-N
MW293.41 g/mol
LogP0.85
Rot. Bonds4

About 1-[[1-(cyclopentylmethyl)piperidin-4-yl]methyl]piperazine-2,3-dione

1-[[1-(cyclopentylmethyl)piperidin-4-yl]methyl]piperazine-2,3-dione (PubChem CID 45281022) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-[[1-(cyclopentylmethyl)piperidin-4-yl]methyl]piperazine-2,3-dione.

Molecular Properties

Compound Name1-[[1-(cyclopentylmethyl)piperidin-4-yl]methyl]piperazine-2,3-dione
PubChem CID45281022
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name1-[[1-(cyclopentylmethyl)piperidin-4-yl]methyl]piperazine-2,3-dione
SMILESO=C1NCCN(CC2CCN(CC3CCCC3)CC2)C1=O
InChIInChI=1S/C16H27N3O2/c20-15-16(21)19(10-7-17-15)12-14-5-8-18(9-6-14)11-13-3-1-2-4-13/h13-14H,1-12H2,(H,17,20)
InChIKeyOIPZWKQZFQDJFB-UHFFFAOYSA-N
XLogP0.85
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

4-(Cyclopentanecarbonyl)piperazin-2-one
CID 833668
(6S)-6-(4-aminobutyl)-1-(cyclohexylmethyl)piperazine-2,3-dione
CID 16745886
1-[[1-(3-Methylbutyl)piperidin-4-yl]methyl]piperazine-2,3-dione
CID 45281028
1-[[1-(2-Cyclopentylethyl)piperidin-4-yl]methyl]piperazine-2,3-dione
CID 45281023
(6S)-1-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]-6-(2-methylpropyl)piperazine-2,3-dione
CID 45281051
1-[[1-(2-Ethylbutyl)piperidin-4-yl]methyl]piperazine-2,3-dione
CID 45281026
(6S)-1-[[1-(2-ethylbutyl)piperidin-4-yl]methyl]-6-(2-methylpropyl)piperazine-2,3-dione
CID 51359787
1-[[1-(3,3-Dimethylbutyl)piperidin-4-yl]methyl]piperazine-2,3-dione
CID 45281021
(6S)-6-[(2S)-butan-2-yl]-1-[[1-(2-ethylbutyl)piperidin-4-yl]methyl]piperazine-2,3-dione
CID 45281037
1-acetyl-N-[2-(3-methylpiperidin-1-yl)ethyl]piperidine-4-carboxamide
CID 53501895
1-[[1-(2-Methylpropyl)piperidin-4-yl]methyl]piperazine-2,3-dione
CID 45281027
(6S)-1-[[1-(3-methylbutyl)piperidin-4-yl]methyl]-6-(2-methylpropyl)piperazine-2,3-dione
CID 51359788

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(cyclopentylmethyl)piperidin-4-yl]methyl]piperazine-2,3-dione?
The IUPAC name of 1-[[1-(cyclopentylmethyl)piperidin-4-yl]methyl]piperazine-2,3-dione (CID 45281022) is 1-[[1-(cyclopentylmethyl)piperidin-4-yl]methyl]piperazine-2,3-dione.
What is the SMILES notation for 1-[[1-(cyclopentylmethyl)piperidin-4-yl]methyl]piperazine-2,3-dione?
The canonical SMILES for 1-[[1-(cyclopentylmethyl)piperidin-4-yl]methyl]piperazine-2,3-dione is O=C1NCCN(CC2CCN(CC3CCCC3)CC2)C1=O.
What is the InChIKey of 1-[[1-(cyclopentylmethyl)piperidin-4-yl]methyl]piperazine-2,3-dione?
The InChIKey is OIPZWKQZFQDJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c20-15-16(21)19(10-7-17-15)12-14-5-8-18(9-6-14)11-13-3-1-2-4-13/h13-14H,1-12H2,(H,17,20).
What are the key properties of 1-[[1-(cyclopentylmethyl)piperidin-4-yl]methyl]piperazine-2,3-dione?
1-[[1-(cyclopentylmethyl)piperidin-4-yl]methyl]piperazine-2,3-dione has a molecular weight of 293.41 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(cyclopentylmethyl)piperidin-4-yl]methyl]piperazine-2,3-dione is sourced from PubChem (CID 45281022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).