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

C19H29ClN4O2 — CID 3053458

IUPAC6,6-dimethyl-3-[3-(4-phenylpiperazin-1-yl)propyl]-1,3-diazinane-2,4-dione;hydrochloride
SMILESCC1(C)CC(=O)N(CCCN2CCN(c3ccccc3)CC2)C(=O)N1.Cl
InChIInChI=1S/C19H28N4O2.ClH/c1-19(2)15-17(24)23(18(25)20-19)10-6-9-21-11-13-22(14-12-21)16-7-4-3-5-8-16;/h3-5,7-8H,6,9-15H2,1-2H3,(H,20,25);1H
InChIKeyODZCOQMPWYRMOQ-UHFFFAOYSA-N
MW380.92 g/mol
LogP2.34
Rot. Bonds5

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

6,6-dimethyl-3-[3-(4-phenylpiperazin-1-yl)propyl]-1,3-diazinane-2,4-dione;hydrochloride (PubChem CID 3053458) has the molecular formula C19H29ClN4O2 and a molecular weight of 380.92 g/mol. Its IUPAC name is 6,6-dimethyl-3-[3-(4-phenylpiperazin-1-yl)propyl]-1,3-diazinane-2,4-dione;hydrochloride.

Molecular Properties

Compound Name6,6-dimethyl-3-[3-(4-phenylpiperazin-1-yl)propyl]-1,3-diazinane-2,4-dione;hydrochloride
PubChem CID3053458
Molecular FormulaC19H29ClN4O2
Molecular Weight380.92 g/mol
Exact Mass380.20
IUPAC Name6,6-dimethyl-3-[3-(4-phenylpiperazin-1-yl)propyl]-1,3-diazinane-2,4-dione;hydrochloride
SMILESCC1(C)CC(=O)N(CCCN2CCN(c3ccccc3)CC2)C(=O)N1.Cl
InChIInChI=1S/C19H28N4O2.ClH/c1-19(2)15-17(24)23(18(25)20-19)10-6-9-21-11-13-22(14-12-21)16-7-4-3-5-8-16;/h3-5,7-8H,6,9-15H2,1-2H3,(H,20,25);1H
InChIKeyODZCOQMPWYRMOQ-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5,5-dimethyl-3-[4-(4-phenylpiperazin-1-yl)butyl]-1,3-oxazolidine-2,4-dione
CID 86293406
1-phenyl-3-[3-(4-phenylpiperazin-1-yl)propyl]imidazolidin-2-one;hydrochloride
CID 19102619
5-ethyl-1-methyl-5-phenyl-3-[4-(4-phenylpiperazin-1-yl)butyl]-1,3-diazinane-2,4,6-trione
CID 600468
3-[4-[4-(4-methylphenyl)piperazin-1-yl]butyl]imidazolidine-2,4-dione
CID 13320378
2-[3-(4-phenylpiperazin-1-yl)propyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 10807257
3-(4-bromophenyl)-1-[3-(4-phenylpiperazin-1-yl)propyl]pyrrolidine-2,5-dione
CID 10551755
(1S,2R,6S,7R)-4-[4-(4-phenylpiperazin-1-yl)butyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 25266539
1-(3-phenoxypropyl)-4-phenylpiperazine;hydrochloride
CID 53329616
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]propanamide
CID 38448455
5-[3-(4-phenylpiperazin-1-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one;dihydrochloride
CID 24845907
1-methyl-3-[3-(4-phenylpiperazin-1-yl)propyl]quinazoline-2,4-dione
CID 102058215
1-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-4,4-diethylpiperidine-2,6-dione
CID 13232494

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-3-[3-(4-phenylpiperazin-1-yl)propyl]-1,3-diazinane-2,4-dione;hydrochloride?
The IUPAC name of 6,6-dimethyl-3-[3-(4-phenylpiperazin-1-yl)propyl]-1,3-diazinane-2,4-dione;hydrochloride (CID 3053458) is 6,6-dimethyl-3-[3-(4-phenylpiperazin-1-yl)propyl]-1,3-diazinane-2,4-dione;hydrochloride.
What is the SMILES notation for 6,6-dimethyl-3-[3-(4-phenylpiperazin-1-yl)propyl]-1,3-diazinane-2,4-dione;hydrochloride?
The canonical SMILES for 6,6-dimethyl-3-[3-(4-phenylpiperazin-1-yl)propyl]-1,3-diazinane-2,4-dione;hydrochloride is CC1(C)CC(=O)N(CCCN2CCN(c3ccccc3)CC2)C(=O)N1.Cl.
What is the InChIKey of 6,6-dimethyl-3-[3-(4-phenylpiperazin-1-yl)propyl]-1,3-diazinane-2,4-dione;hydrochloride?
The InChIKey is ODZCOQMPWYRMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2.ClH/c1-19(2)15-17(24)23(18(25)20-19)10-6-9-21-11-13-22(14-12-21)16-7-4-3-5-8-16;/h3-5,7-8H,6,9-15H2,1-2H3,(H,20,25);1H.
What are the key properties of 6,6-dimethyl-3-[3-(4-phenylpiperazin-1-yl)propyl]-1,3-diazinane-2,4-dione;hydrochloride?
6,6-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 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-3-[3-(4-phenylpiperazin-1-yl)propyl]-1,3-diazinane-2,4-dione;hydrochloride is sourced from PubChem (CID 3053458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).