1-[4-[4-(hydroxymethyl)piperidin-1-yl]-3-methylphenyl]-1,3-diazinane-2,4-dione

C17H23N3O3 — CID 166948250

IUPAC1-[4-[4-(hydroxymethyl)piperidin-1-yl]-3-methylphenyl]-1,3-diazinane-2,4-dione
SMILESCc1cc(N2CCC(=O)NC2=O)ccc1N1CCC(CO)CC1
InChIInChI=1S/C17H23N3O3/c1-12-10-14(20-9-6-16(22)18-17(20)23)2-3-15(12)19-7-4-13(11-21)5-8-19/h2-3,10,13,21H,4-9,11H2,1H3,(H,18,22,23)
InChIKeyBZIZNTWNBXHYGV-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.65
Rot. Bonds3

About 1-[4-[4-(hydroxymethyl)piperidin-1-yl]-3-methylphenyl]-1,3-diazinane-2,4-dione

1-[4-[4-(hydroxymethyl)piperidin-1-yl]-3-methylphenyl]-1,3-diazinane-2,4-dione (PubChem CID 166948250) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 1-[4-[4-(hydroxymethyl)piperidin-1-yl]-3-methylphenyl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[4-[4-(hydroxymethyl)piperidin-1-yl]-3-methylphenyl]-1,3-diazinane-2,4-dione
PubChem CID166948250
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name1-[4-[4-(hydroxymethyl)piperidin-1-yl]-3-methylphenyl]-1,3-diazinane-2,4-dione
SMILESCc1cc(N2CCC(=O)NC2=O)ccc1N1CCC(CO)CC1
InChIInChI=1S/C17H23N3O3/c1-12-10-14(20-9-6-16(22)18-17(20)23)2-3-15(12)19-7-4-13(11-21)5-8-19/h2-3,10,13,21H,4-9,11H2,1H3,(H,18,22,23)
InChIKeyBZIZNTWNBXHYGV-UHFFFAOYSA-N
XLogP1.65
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-[2-methyl-4-[4-[[1-(2-methyl-4-nitrophenyl)piperidin-4-yl]methyl]piperazin-1-yl]phenyl]-1,3-diazinane-2,4-dione
CID 177364685
1-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-diazinane-2,4-dione
CID 79777682
4-[4-(hydroxymethyl)piperidin-1-yl]-2-methylbenzoic acid
CID 113400000
N-[2-(dimethylamino)-4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]-N-(2,6-dioxopiperidin-3-yl)formamide
CID 167190325
1-[4-(2-hydroxyethyl)phenyl]-1,3-diazinane-2,4-dione
CID 166947284
2-[1-[4-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]piperidin-4-yl]ethyl 4-methylbenzenesulfonate
CID 167151390
3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methyl-N-(piperidin-4-ylmethyl)benzamide
CID 175658269
1-[4-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]piperidine-4-carbaldehyde
CID 163203491
[1-(4-methoxy-3-methylphenyl)piperidin-4-yl]methanol
CID 126696055
5-[4-(hydroxymethyl)piperidin-1-yl]isoindole-1,3-dione
CID 175936887
1-[5-[4-(2-methylpropyl)piperidin-1-yl]-2-pyridinyl]-1,3-diazinane-2,4-dione
CID 178116601
1-[5-[4-(2,2-dimethylpropyl)piperidin-1-yl]-2-pyridinyl]-1,3-diazinane-2,4-dione
CID 178116740

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(hydroxymethyl)piperidin-1-yl]-3-methylphenyl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[4-[4-(hydroxymethyl)piperidin-1-yl]-3-methylphenyl]-1,3-diazinane-2,4-dione (CID 166948250) is 1-[4-[4-(hydroxymethyl)piperidin-1-yl]-3-methylphenyl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[4-[4-(hydroxymethyl)piperidin-1-yl]-3-methylphenyl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[4-[4-(hydroxymethyl)piperidin-1-yl]-3-methylphenyl]-1,3-diazinane-2,4-dione is Cc1cc(N2CCC(=O)NC2=O)ccc1N1CCC(CO)CC1.
What is the InChIKey of 1-[4-[4-(hydroxymethyl)piperidin-1-yl]-3-methylphenyl]-1,3-diazinane-2,4-dione?
The InChIKey is BZIZNTWNBXHYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-12-10-14(20-9-6-16(22)18-17(20)23)2-3-15(12)19-7-4-13(11-21)5-8-19/h2-3,10,13,21H,4-9,11H2,1H3,(H,18,22,23).
What are the key properties of 1-[4-[4-(hydroxymethyl)piperidin-1-yl]-3-methylphenyl]-1,3-diazinane-2,4-dione?
1-[4-[4-(hydroxymethyl)piperidin-1-yl]-3-methylphenyl]-1,3-diazinane-2,4-dione has a molecular weight of 317.39 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(hydroxymethyl)piperidin-1-yl]-3-methylphenyl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 166948250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).