1-[4-[4-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]piperazin-1-yl]-2-methoxyphenyl]-1,3-diazinane-2,4-dione

C23H34N6O4 — CID 167463656

IUPAC1-[4-[4-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]piperazin-1-yl]-2-methoxyphenyl]-1,3-diazinane-2,4-dione
SMILESCOc1cc(N2CCN(CCC(=O)N3CCC(N)CC3)CC2)ccc1N1CCC(=O)NC1=O
InChIInChI=1S/C23H34N6O4/c1-33-20-16-18(2-3-19(20)29-11-6-21(30)25-23(29)32)27-14-12-26(13-15-27)8-7-22(31)28-9-4-17(24)5-10-28/h2-3,16-17H,4-15,24H2,1H3,(H,25,30,32)
InChIKeyMWECRFPZQIRTNM-UHFFFAOYSA-N
MW458.56 g/mol
LogP0.60
Rot. Bonds6

About 1-[4-[4-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]piperazin-1-yl]-2-methoxyphenyl]-1,3-diazinane-2,4-dione

1-[4-[4-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]piperazin-1-yl]-2-methoxyphenyl]-1,3-diazinane-2,4-dione (PubChem CID 167463656) has the molecular formula C23H34N6O4 and a molecular weight of 458.56 g/mol. Its IUPAC name is 1-[4-[4-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]piperazin-1-yl]-2-methoxyphenyl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[4-[4-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]piperazin-1-yl]-2-methoxyphenyl]-1,3-diazinane-2,4-dione
PubChem CID167463656
Molecular FormulaC23H34N6O4
Molecular Weight458.56 g/mol
Exact Mass458.26
IUPAC Name1-[4-[4-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]piperazin-1-yl]-2-methoxyphenyl]-1,3-diazinane-2,4-dione
SMILESCOc1cc(N2CCN(CCC(=O)N3CCC(N)CC3)CC2)ccc1N1CCC(=O)NC1=O
InChIInChI=1S/C23H34N6O4/c1-33-20-16-18(2-3-19(20)29-11-6-21(30)25-23(29)32)27-14-12-26(13-15-27)8-7-22(31)28-9-4-17(24)5-10-28/h2-3,16-17H,4-15,24H2,1H3,(H,25,30,32)
InChIKeyMWECRFPZQIRTNM-UHFFFAOYSA-N
XLogP0.60
TPSA111.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.56
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]piperazin-1-yl]-2-methoxyphenyl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[4-[4-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]piperazin-1-yl]-2-methoxyphenyl]-1,3-diazinane-2,4-dione (CID 167463656) is 1-[4-[4-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]piperazin-1-yl]-2-methoxyphenyl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[4-[4-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]piperazin-1-yl]-2-methoxyphenyl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[4-[4-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]piperazin-1-yl]-2-methoxyphenyl]-1,3-diazinane-2,4-dione is COc1cc(N2CCN(CCC(=O)N3CCC(N)CC3)CC2)ccc1N1CCC(=O)NC1=O.
What is the InChIKey of 1-[4-[4-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]piperazin-1-yl]-2-methoxyphenyl]-1,3-diazinane-2,4-dione?
The InChIKey is MWECRFPZQIRTNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N6O4/c1-33-20-16-18(2-3-19(20)29-11-6-21(30)25-23(29)32)27-14-12-26(13-15-27)8-7-22(31)28-9-4-17(24)5-10-28/h2-3,16-17H,4-15,24H2,1H3,(H,25,30,32).
What are the key properties of 1-[4-[4-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]piperazin-1-yl]-2-methoxyphenyl]-1,3-diazinane-2,4-dione?
1-[4-[4-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]piperazin-1-yl]-2-methoxyphenyl]-1,3-diazinane-2,4-dione has a molecular weight of 458.56 g/mol, XLogP of 0.60, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]piperazin-1-yl]-2-methoxyphenyl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 167463656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).