3-[[4-(4-phenylpiperazine-1-carbonyl)cyclohexyl]methyl]-1,3-diazinane-2,4-dione

C22H30N4O3 — CID 118735749

IUPAC3-[[4-(4-phenylpiperazine-1-carbonyl)cyclohexyl]methyl]-1,3-diazinane-2,4-dione
SMILESO=C(C1CCC(CN2C(=O)CCNC2=O)CC1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C22H30N4O3/c27-20-10-11-23-22(29)26(20)16-17-6-8-18(9-7-17)21(28)25-14-12-24(13-15-25)19-4-2-1-3-5-19/h1-5,17-18H,6-16H2,(H,23,29)
InChIKeyZGMIUAWRVCHYGG-UHFFFAOYSA-N
MW398.51 g/mol
LogP2.08
Rot. Bonds4

About 3-[[4-(4-phenylpiperazine-1-carbonyl)cyclohexyl]methyl]-1,3-diazinane-2,4-dione

3-[[4-(4-phenylpiperazine-1-carbonyl)cyclohexyl]methyl]-1,3-diazinane-2,4-dione (PubChem CID 118735749) has the molecular formula C22H30N4O3 and a molecular weight of 398.51 g/mol. Its IUPAC name is 3-[[4-(4-phenylpiperazine-1-carbonyl)cyclohexyl]methyl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name3-[[4-(4-phenylpiperazine-1-carbonyl)cyclohexyl]methyl]-1,3-diazinane-2,4-dione
PubChem CID118735749
Molecular FormulaC22H30N4O3
Molecular Weight398.51 g/mol
Exact Mass398.23
IUPAC Name3-[[4-(4-phenylpiperazine-1-carbonyl)cyclohexyl]methyl]-1,3-diazinane-2,4-dione
SMILESO=C(C1CCC(CN2C(=O)CCNC2=O)CC1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C22H30N4O3/c27-20-10-11-23-22(29)26(20)16-17-6-8-18(9-7-17)21(28)25-14-12-24(13-15-25)19-4-2-1-3-5-19/h1-5,17-18H,6-16H2,(H,23,29)
InChIKeyZGMIUAWRVCHYGG-UHFFFAOYSA-N
XLogP2.08
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(4-phenylpiperazine-1-carbonyl)cyclohexyl]methyl]-1,3-diazinane-2,4-dione?
The IUPAC name of 3-[[4-(4-phenylpiperazine-1-carbonyl)cyclohexyl]methyl]-1,3-diazinane-2,4-dione (CID 118735749) is 3-[[4-(4-phenylpiperazine-1-carbonyl)cyclohexyl]methyl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 3-[[4-(4-phenylpiperazine-1-carbonyl)cyclohexyl]methyl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 3-[[4-(4-phenylpiperazine-1-carbonyl)cyclohexyl]methyl]-1,3-diazinane-2,4-dione is O=C(C1CCC(CN2C(=O)CCNC2=O)CC1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 3-[[4-(4-phenylpiperazine-1-carbonyl)cyclohexyl]methyl]-1,3-diazinane-2,4-dione?
The InChIKey is ZGMIUAWRVCHYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3/c27-20-10-11-23-22(29)26(20)16-17-6-8-18(9-7-17)21(28)25-14-12-24(13-15-25)19-4-2-1-3-5-19/h1-5,17-18H,6-16H2,(H,23,29).
What are the key properties of 3-[[4-(4-phenylpiperazine-1-carbonyl)cyclohexyl]methyl]-1,3-diazinane-2,4-dione?
3-[[4-(4-phenylpiperazine-1-carbonyl)cyclohexyl]methyl]-1,3-diazinane-2,4-dione has a molecular weight of 398.51 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(4-phenylpiperazine-1-carbonyl)cyclohexyl]methyl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 118735749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).