5,6-dimethyl-3-[3-(4-phenylpiperazin-1-yl)propyl]-1,3-diazinane-2,4-dione;hydrochloride

C19H29ClN4O2 — CID 3053464

IUPAC5,6-dimethyl-3-[3-(4-phenylpiperazin-1-yl)propyl]-1,3-diazinane-2,4-dione;hydrochloride
SMILESCC1NC(=O)N(CCCN2CCN(c3ccccc3)CC2)C(=O)C1C.Cl
InChIInChI=1S/C19H28N4O2.ClH/c1-15-16(2)20-19(25)23(18(15)24)10-6-9-21-11-13-22(14-12-21)17-7-4-3-5-8-17;/h3-5,7-8,15-16H,6,9-14H2,1-2H3,(H,20,25);1H
InChIKeyKPOVLVJSWBDYAN-UHFFFAOYSA-N
MW380.92 g/mol
LogP2.20
Rot. Bonds5

About 5,6-dimethyl-3-[3-(4-phenylpiperazin-1-yl)propyl]-1,3-diazinane-2,4-dione;hydrochloride

5,6-dimethyl-3-[3-(4-phenylpiperazin-1-yl)propyl]-1,3-diazinane-2,4-dione;hydrochloride (PubChem CID 3053464) has the molecular formula C19H29ClN4O2 and a molecular weight of 380.92 g/mol. Its IUPAC name is 5,6-dimethyl-3-[3-(4-phenylpiperazin-1-yl)propyl]-1,3-diazinane-2,4-dione;hydrochloride.

Molecular Properties

Compound Name5,6-dimethyl-3-[3-(4-phenylpiperazin-1-yl)propyl]-1,3-diazinane-2,4-dione;hydrochloride
PubChem CID3053464
Molecular FormulaC19H29ClN4O2
Molecular Weight380.92 g/mol
Exact Mass380.20
IUPAC Name5,6-dimethyl-3-[3-(4-phenylpiperazin-1-yl)propyl]-1,3-diazinane-2,4-dione;hydrochloride
SMILESCC1NC(=O)N(CCCN2CCN(c3ccccc3)CC2)C(=O)C1C.Cl
InChIInChI=1S/C19H28N4O2.ClH/c1-15-16(2)20-19(25)23(18(15)24)10-6-9-21-11-13-22(14-12-21)17-7-4-3-5-8-17;/h3-5,7-8,15-16H,6,9-14H2,1-2H3,(H,20,25);1H
InChIKeyKPOVLVJSWBDYAN-UHFFFAOYSA-N
XLogP2.20
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.92
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-[3-(4-phenylpiperazin-1-yl)propyl]-1,3-diazinane-2,4-dione;hydrochloride?
The IUPAC name of 5,6-dimethyl-3-[3-(4-phenylpiperazin-1-yl)propyl]-1,3-diazinane-2,4-dione;hydrochloride (CID 3053464) is 5,6-dimethyl-3-[3-(4-phenylpiperazin-1-yl)propyl]-1,3-diazinane-2,4-dione;hydrochloride.
What is the SMILES notation for 5,6-dimethyl-3-[3-(4-phenylpiperazin-1-yl)propyl]-1,3-diazinane-2,4-dione;hydrochloride?
The canonical SMILES for 5,6-dimethyl-3-[3-(4-phenylpiperazin-1-yl)propyl]-1,3-diazinane-2,4-dione;hydrochloride is CC1NC(=O)N(CCCN2CCN(c3ccccc3)CC2)C(=O)C1C.Cl.
What is the InChIKey of 5,6-dimethyl-3-[3-(4-phenylpiperazin-1-yl)propyl]-1,3-diazinane-2,4-dione;hydrochloride?
The InChIKey is KPOVLVJSWBDYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2.ClH/c1-15-16(2)20-19(25)23(18(15)24)10-6-9-21-11-13-22(14-12-21)17-7-4-3-5-8-17;/h3-5,7-8,15-16H,6,9-14H2,1-2H3,(H,20,25);1H.
What are the key properties of 5,6-dimethyl-3-[3-(4-phenylpiperazin-1-yl)propyl]-1,3-diazinane-2,4-dione;hydrochloride?
5,6-dimethyl-3-[3-(4-phenylpiperazin-1-yl)propyl]-1,3-diazinane-2,4-dione;hydrochloride has a molecular weight of 380.92 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-[3-(4-phenylpiperazin-1-yl)propyl]-1,3-diazinane-2,4-dione;hydrochloride is sourced from PubChem (CID 3053464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).