3-[2-[2,2-bis(prop-2-enyl)piperidin-1-yl]-2-oxoethyl]-4-(2,2-dimethylpropyl)piperazin-2-one

C22H37N3O2 — CID 56854813

IUPAC3-[2-[2,2-bis(prop-2-enyl)piperidin-1-yl]-2-oxoethyl]-4-(2,2-dimethylpropyl)piperazin-2-one
SMILESC=CCC1(CC=C)CCCCN1C(=O)CC1C(=O)NCCN1CC(C)(C)C
InChIInChI=1S/C22H37N3O2/c1-6-10-22(11-7-2)12-8-9-14-25(22)19(26)16-18-20(27)23-13-15-24(18)17-21(3,4)5/h6-7,18H,1-2,8-17H2,3-5H3,(H,23,27)
InChIKeyAGNQAJUPQKJPNX-UHFFFAOYSA-N
MW375.56 g/mol
LogP3.13
Rot. Bonds7

About 3-[2-[2,2-bis(prop-2-enyl)piperidin-1-yl]-2-oxoethyl]-4-(2,2-dimethylpropyl)piperazin-2-one

3-[2-[2,2-bis(prop-2-enyl)piperidin-1-yl]-2-oxoethyl]-4-(2,2-dimethylpropyl)piperazin-2-one (PubChem CID 56854813) has the molecular formula C22H37N3O2 and a molecular weight of 375.56 g/mol. Its IUPAC name is 3-[2-[2,2-bis(prop-2-enyl)piperidin-1-yl]-2-oxoethyl]-4-(2,2-dimethylpropyl)piperazin-2-one.

Molecular Properties

Compound Name3-[2-[2,2-bis(prop-2-enyl)piperidin-1-yl]-2-oxoethyl]-4-(2,2-dimethylpropyl)piperazin-2-one
PubChem CID56854813
Molecular FormulaC22H37N3O2
Molecular Weight375.56 g/mol
Exact Mass375.29
IUPAC Name3-[2-[2,2-bis(prop-2-enyl)piperidin-1-yl]-2-oxoethyl]-4-(2,2-dimethylpropyl)piperazin-2-one
SMILESC=CCC1(CC=C)CCCCN1C(=O)CC1C(=O)NCCN1CC(C)(C)C
InChIInChI=1S/C22H37N3O2/c1-6-10-22(11-7-2)12-8-9-14-25(22)19(26)16-18-20(27)23-13-15-24(18)17-21(3,4)5/h6-7,18H,1-2,8-17H2,3-5H3,(H,23,27)
InChIKeyAGNQAJUPQKJPNX-UHFFFAOYSA-N
XLogP3.13
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.56
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[2,2-bis(prop-2-enyl)piperidin-1-yl]-2-oxoethyl]-4-(2,2-dimethylpropyl)piperazin-2-one?
The IUPAC name of 3-[2-[2,2-bis(prop-2-enyl)piperidin-1-yl]-2-oxoethyl]-4-(2,2-dimethylpropyl)piperazin-2-one (CID 56854813) is 3-[2-[2,2-bis(prop-2-enyl)piperidin-1-yl]-2-oxoethyl]-4-(2,2-dimethylpropyl)piperazin-2-one.
What is the SMILES notation for 3-[2-[2,2-bis(prop-2-enyl)piperidin-1-yl]-2-oxoethyl]-4-(2,2-dimethylpropyl)piperazin-2-one?
The canonical SMILES for 3-[2-[2,2-bis(prop-2-enyl)piperidin-1-yl]-2-oxoethyl]-4-(2,2-dimethylpropyl)piperazin-2-one is C=CCC1(CC=C)CCCCN1C(=O)CC1C(=O)NCCN1CC(C)(C)C.
What is the InChIKey of 3-[2-[2,2-bis(prop-2-enyl)piperidin-1-yl]-2-oxoethyl]-4-(2,2-dimethylpropyl)piperazin-2-one?
The InChIKey is AGNQAJUPQKJPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N3O2/c1-6-10-22(11-7-2)12-8-9-14-25(22)19(26)16-18-20(27)23-13-15-24(18)17-21(3,4)5/h6-7,18H,1-2,8-17H2,3-5H3,(H,23,27).
What are the key properties of 3-[2-[2,2-bis(prop-2-enyl)piperidin-1-yl]-2-oxoethyl]-4-(2,2-dimethylpropyl)piperazin-2-one?
3-[2-[2,2-bis(prop-2-enyl)piperidin-1-yl]-2-oxoethyl]-4-(2,2-dimethylpropyl)piperazin-2-one has a molecular weight of 375.56 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2,2-bis(prop-2-enyl)piperidin-1-yl]-2-oxoethyl]-4-(2,2-dimethylpropyl)piperazin-2-one is sourced from PubChem (CID 56854813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).