1-[[4-(1-propan-2-ylpiperidin-4-yl)phenyl]methyl]-1,3-diazinane-2,4-dione

C19H27N3O2 — CID 166116720

IUPAC1-[[4-(1-propan-2-ylpiperidin-4-yl)phenyl]methyl]-1,3-diazinane-2,4-dione
SMILESCC(C)N1CCC(c2ccc(CN3CCC(=O)NC3=O)cc2)CC1
InChIInChI=1S/C19H27N3O2/c1-14(2)21-10-7-17(8-11-21)16-5-3-15(4-6-16)13-22-12-9-18(23)20-19(22)24/h3-6,14,17H,7-13H2,1-2H3,(H,20,23,24)
InChIKeyQXAXSUCQUQEOKG-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.72
Rot. Bonds4

About 1-[[4-(1-propan-2-ylpiperidin-4-yl)phenyl]methyl]-1,3-diazinane-2,4-dione

1-[[4-(1-propan-2-ylpiperidin-4-yl)phenyl]methyl]-1,3-diazinane-2,4-dione (PubChem CID 166116720) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 1-[[4-(1-propan-2-ylpiperidin-4-yl)phenyl]methyl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[[4-(1-propan-2-ylpiperidin-4-yl)phenyl]methyl]-1,3-diazinane-2,4-dione
PubChem CID166116720
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name1-[[4-(1-propan-2-ylpiperidin-4-yl)phenyl]methyl]-1,3-diazinane-2,4-dione
SMILESCC(C)N1CCC(c2ccc(CN3CCC(=O)NC3=O)cc2)CC1
InChIInChI=1S/C19H27N3O2/c1-14(2)21-10-7-17(8-11-21)16-5-3-15(4-6-16)13-22-12-9-18(23)20-19(22)24/h3-6,14,17H,7-13H2,1-2H3,(H,20,23,24)
InChIKeyQXAXSUCQUQEOKG-UHFFFAOYSA-N
XLogP2.72
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[4-(1-propylpiperidin-4-yl)phenyl]methyl]-1,3-diazinane-2,4-dione
CID 171083848
4-(4-ethylphenyl)-1-propan-2-ylpiperidine
CID 69073931
1-[(4-tert-butylphenyl)methyl]-1,3-diazinane-2,4-dione
CID 73198120
2-[4-[(2,4-dioxo-1,3-diazinan-1-yl)methyl]phenyl]acetaldehyde
CID 166947635
1-[[2-oxo-1-[2-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]ethyl]-3-pyridinyl]methyl]-1,3-diazinane-2,4-dione
CID 165372756
4-(4-tert-butylphenyl)-1-propan-2-ylpiperidine
CID 69030309
methoxymethane;1-[1-methyl-6-(1-propan-2-ylpiperidin-4-yl)indazol-3-yl]-1,3-diazinane-2,4-dione
CID 166116682
1-[(4-fluorophenyl)methyl]-3-propan-2-yl-1,4-diazepane-2,5-dione
CID 64883719
N-(2,6-dioxopiperidin-3-yl)-5-(1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide
CID 171786638
4-[(4-fluorophenyl)methyl]-1-propan-2-yl-1,4-diazepan-5-one
CID 26334076
2-butoxy-9-[[4-(1-propan-2-ylpiperidin-4-yl)phenyl]methyl]-7H-purin-8-one
CID 178100104
3-[[4-(1-methylpiperidin-4-yl)phenyl]methyl]piperidine-2,6-dione
CID 166117430

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(1-propan-2-ylpiperidin-4-yl)phenyl]methyl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[[4-(1-propan-2-ylpiperidin-4-yl)phenyl]methyl]-1,3-diazinane-2,4-dione (CID 166116720) is 1-[[4-(1-propan-2-ylpiperidin-4-yl)phenyl]methyl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[[4-(1-propan-2-ylpiperidin-4-yl)phenyl]methyl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[[4-(1-propan-2-ylpiperidin-4-yl)phenyl]methyl]-1,3-diazinane-2,4-dione is CC(C)N1CCC(c2ccc(CN3CCC(=O)NC3=O)cc2)CC1.
What is the InChIKey of 1-[[4-(1-propan-2-ylpiperidin-4-yl)phenyl]methyl]-1,3-diazinane-2,4-dione?
The InChIKey is QXAXSUCQUQEOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-14(2)21-10-7-17(8-11-21)16-5-3-15(4-6-16)13-22-12-9-18(23)20-19(22)24/h3-6,14,17H,7-13H2,1-2H3,(H,20,23,24).
What are the key properties of 1-[[4-(1-propan-2-ylpiperidin-4-yl)phenyl]methyl]-1,3-diazinane-2,4-dione?
1-[[4-(1-propan-2-ylpiperidin-4-yl)phenyl]methyl]-1,3-diazinane-2,4-dione has a molecular weight of 329.44 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(1-propan-2-ylpiperidin-4-yl)phenyl]methyl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 166116720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).