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

C19H27N3O2 — CID 171083848

IUPAC1-[[4-(1-propylpiperidin-4-yl)phenyl]methyl]-1,3-diazinane-2,4-dione
SMILESCCCN1CCC(c2ccc(CN3CCC(=O)NC3=O)cc2)CC1
InChIInChI=1S/C19H27N3O2/c1-2-10-21-11-7-17(8-12-21)16-5-3-15(4-6-16)14-22-13-9-18(23)20-19(22)24/h3-6,17H,2,7-14H2,1H3,(H,20,23,24)
InChIKeyMEWNISOPSLQHCY-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.72
Rot. Bonds5

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

1-[[4-(1-propylpiperidin-4-yl)phenyl]methyl]-1,3-diazinane-2,4-dione (PubChem CID 171083848) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 1-[[4-(1-propylpiperidin-4-yl)phenyl]methyl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[[4-(1-propylpiperidin-4-yl)phenyl]methyl]-1,3-diazinane-2,4-dione
PubChem CID171083848
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name1-[[4-(1-propylpiperidin-4-yl)phenyl]methyl]-1,3-diazinane-2,4-dione
SMILESCCCN1CCC(c2ccc(CN3CCC(=O)NC3=O)cc2)CC1
InChIInChI=1S/C19H27N3O2/c1-2-10-21-11-7-17(8-12-21)16-5-3-15(4-6-16)14-22-13-9-18(23)20-19(22)24/h3-6,17H,2,7-14H2,1H3,(H,20,23,24)
InChIKeyMEWNISOPSLQHCY-UHFFFAOYSA-N
XLogP2.72
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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-propan-2-ylpiperidin-4-yl)phenyl]methyl]-1,3-diazinane-2,4-dione
CID 166116720
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
3-[[4-(1-methylpiperidin-4-yl)phenyl]methyl]piperidine-2,6-dione
CID 166117430
4-(4-chlorophenyl)-1-pentylpiperidine
CID 66635369
1-[[4-(4-methylcyclohexyl)phenyl]methyl]piperazine
CID 117434167
4-(4-butoxyphenyl)-1-propylpiperidine
CID 57387305
5-[[4-(4-bromophenyl)piperidin-1-yl]methyl]-2-(2,4-dioxo-1,3-diazinan-1-yl)isoindole-1,3-dione
CID 172611051
2-[4-(4-ethylphenyl)piperidin-1-yl]ethanamine
CID 82128932
2-[4-[4-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]piperidin-1-yl]acetic acid
CID 166900322
1-[2-(4-butoxyphenyl)ethyl]-1,3-diazinane-2,4-dione
CID 20833803
N-[[4-[(4-propylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine
CID 62423801

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(1-propylpiperidin-4-yl)phenyl]methyl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[[4-(1-propylpiperidin-4-yl)phenyl]methyl]-1,3-diazinane-2,4-dione (CID 171083848) is 1-[[4-(1-propylpiperidin-4-yl)phenyl]methyl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[[4-(1-propylpiperidin-4-yl)phenyl]methyl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[[4-(1-propylpiperidin-4-yl)phenyl]methyl]-1,3-diazinane-2,4-dione is CCCN1CCC(c2ccc(CN3CCC(=O)NC3=O)cc2)CC1.
What is the InChIKey of 1-[[4-(1-propylpiperidin-4-yl)phenyl]methyl]-1,3-diazinane-2,4-dione?
The InChIKey is MEWNISOPSLQHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-2-10-21-11-7-17(8-12-21)16-5-3-15(4-6-16)14-22-13-9-18(23)20-19(22)24/h3-6,17H,2,7-14H2,1H3,(H,20,23,24).
What are the key properties of 1-[[4-(1-propylpiperidin-4-yl)phenyl]methyl]-1,3-diazinane-2,4-dione?
1-[[4-(1-propylpiperidin-4-yl)phenyl]methyl]-1,3-diazinane-2,4-dione has a molecular weight of 329.44 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(1-propylpiperidin-4-yl)phenyl]methyl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 171083848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).