1-(4-piperidin-4-ylphenyl)-1,3-diazinane-2,4-dione;hydrochloride

C15H20ClN3O2 — CID 154941959

IUPAC1-(4-piperidin-4-ylphenyl)-1,3-diazinane-2,4-dione;hydrochloride
SMILESCl.O=C1CCN(c2ccc(C3CCNCC3)cc2)C(=O)N1
InChIInChI=1S/C15H19N3O2.ClH/c19-14-7-10-18(15(20)17-14)13-3-1-11(2-4-13)12-5-8-16-9-6-12;/h1-4,12,16H,5-10H2,(H,17,19,20);1H
InChIKeyLMDRQYPOPFBGMY-UHFFFAOYSA-N
MW309.80 g/mol
LogP2.02
Rot. Bonds2

About 1-(4-piperidin-4-ylphenyl)-1,3-diazinane-2,4-dione;hydrochloride

1-(4-piperidin-4-ylphenyl)-1,3-diazinane-2,4-dione;hydrochloride (PubChem CID 154941959) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is 1-(4-piperidin-4-ylphenyl)-1,3-diazinane-2,4-dione;hydrochloride.

Molecular Properties

Compound Name1-(4-piperidin-4-ylphenyl)-1,3-diazinane-2,4-dione;hydrochloride
PubChem CID154941959
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC Name1-(4-piperidin-4-ylphenyl)-1,3-diazinane-2,4-dione;hydrochloride
SMILESCl.O=C1CCN(c2ccc(C3CCNCC3)cc2)C(=O)N1
InChIInChI=1S/C15H19N3O2.ClH/c19-14-7-10-18(15(20)17-14)13-3-1-11(2-4-13)12-5-8-16-9-6-12;/h1-4,12,16H,5-10H2,(H,17,19,20);1H
InChIKeyLMDRQYPOPFBGMY-UHFFFAOYSA-N
XLogP2.02
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(4-piperidin-4-ylphenyl)-1,3-diazinane-2,4-dione;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-(2-Methylpropanoyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 24898133
N-((Acetylamino)(4-(dimethylamino)phenyl)methyl)acetamide
CID 853046
1-(Biphenyl-4-yl)-3-(4-(piperidin-1-yl)butyl)urea
CID 46831055
1-(1-Propionylpiperidin-4-yl)-3-m-tolylurea
CID 49782798
1-(1-Propionylpiperidin-4-yl)-3-p-tolylurea
CID 49782799
1-[1-(3-Methyl-butyryl)-piperidin-4-yl]-3-(4-trifluoromethyl-phenyl)-urea
CID 24899522
1-(1-Cyclopropanecarbonylpiperidin-4-yl)-3-[4-(trifluoromethyl)phenyl]urea
CID 45889074
1-(4-Perfluoroisopropylphenyl)-3-(1-propionylpiperidin-4-yl)urea
CID 49780161
1-(1-Propionylpiperidin-4-yl)-3-(4-(trifluoromethyl)phenyl)urea
CID 49783427
1-(1-(3,3,3-Trifluoropropionyl)piperidin-4-yl)-3-(4-(trifluoromethyl)phenyl)urea
CID 56971637
1-(1-(2-Methylbutyryl)piperidin-4-yl)-3-(4-(trifluoromethyl)phenyl)urea
CID 56971639
1-[4-(Trifluoromethyl)phenyl]-3-[1-[(S)-2-methylbutyryl]-4-piperidinyl]urea
CID 71680510

Frequently Asked Questions

What is the IUPAC name of 1-(4-piperidin-4-ylphenyl)-1,3-diazinane-2,4-dione;hydrochloride?
The IUPAC name of 1-(4-piperidin-4-ylphenyl)-1,3-diazinane-2,4-dione;hydrochloride (CID 154941959) is 1-(4-piperidin-4-ylphenyl)-1,3-diazinane-2,4-dione;hydrochloride.
What is the SMILES notation for 1-(4-piperidin-4-ylphenyl)-1,3-diazinane-2,4-dione;hydrochloride?
The canonical SMILES for 1-(4-piperidin-4-ylphenyl)-1,3-diazinane-2,4-dione;hydrochloride is Cl.O=C1CCN(c2ccc(C3CCNCC3)cc2)C(=O)N1.
What is the InChIKey of 1-(4-piperidin-4-ylphenyl)-1,3-diazinane-2,4-dione;hydrochloride?
The InChIKey is LMDRQYPOPFBGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2.ClH/c19-14-7-10-18(15(20)17-14)13-3-1-11(2-4-13)12-5-8-16-9-6-12;/h1-4,12,16H,5-10H2,(H,17,19,20);1H.
What are the key properties of 1-(4-piperidin-4-ylphenyl)-1,3-diazinane-2,4-dione;hydrochloride?
1-(4-piperidin-4-ylphenyl)-1,3-diazinane-2,4-dione;hydrochloride has a molecular weight of 309.80 g/mol, XLogP of 2.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-piperidin-4-ylphenyl)-1,3-diazinane-2,4-dione;hydrochloride is sourced from PubChem (CID 154941959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).