1-[2-(2,6-dioxo-1,3-diazinan-1-yl)acetyl]-4-phenylpiperidine-4-carbonitrile

C18H20N4O3 — CID 72846382

IUPAC1-[2-(2,6-dioxo-1,3-diazinan-1-yl)acetyl]-4-phenylpiperidine-4-carbonitrile
SMILESN#CC1(c2ccccc2)CCN(C(=O)CN2C(=O)CCNC2=O)CC1
InChIInChI=1S/C18H20N4O3/c19-13-18(14-4-2-1-3-5-14)7-10-21(11-8-18)16(24)12-22-15(23)6-9-20-17(22)25/h1-5H,6-12H2,(H,20,25)
InChIKeyZGEXOWVFHNSTKY-UHFFFAOYSA-N
MW340.38 g/mol
LogP1.01
Rot. Bonds3

About 1-[2-(2,6-dioxo-1,3-diazinan-1-yl)acetyl]-4-phenylpiperidine-4-carbonitrile

1-[2-(2,6-dioxo-1,3-diazinan-1-yl)acetyl]-4-phenylpiperidine-4-carbonitrile (PubChem CID 72846382) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 1-[2-(2,6-dioxo-1,3-diazinan-1-yl)acetyl]-4-phenylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name1-[2-(2,6-dioxo-1,3-diazinan-1-yl)acetyl]-4-phenylpiperidine-4-carbonitrile
PubChem CID72846382
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name1-[2-(2,6-dioxo-1,3-diazinan-1-yl)acetyl]-4-phenylpiperidine-4-carbonitrile
SMILESN#CC1(c2ccccc2)CCN(C(=O)CN2C(=O)CCNC2=O)CC1
InChIInChI=1S/C18H20N4O3/c19-13-18(14-4-2-1-3-5-14)7-10-21(11-8-18)16(24)12-22-15(23)6-9-20-17(22)25/h1-5H,6-12H2,(H,20,25)
InChIKeyZGEXOWVFHNSTKY-UHFFFAOYSA-N
XLogP1.01
TPSA93.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,6-dioxo-1,3-diazinan-1-yl)acetyl]-4-phenylpiperidine-4-carbonitrile?
The IUPAC name of 1-[2-(2,6-dioxo-1,3-diazinan-1-yl)acetyl]-4-phenylpiperidine-4-carbonitrile (CID 72846382) is 1-[2-(2,6-dioxo-1,3-diazinan-1-yl)acetyl]-4-phenylpiperidine-4-carbonitrile.
What is the SMILES notation for 1-[2-(2,6-dioxo-1,3-diazinan-1-yl)acetyl]-4-phenylpiperidine-4-carbonitrile?
The canonical SMILES for 1-[2-(2,6-dioxo-1,3-diazinan-1-yl)acetyl]-4-phenylpiperidine-4-carbonitrile is N#CC1(c2ccccc2)CCN(C(=O)CN2C(=O)CCNC2=O)CC1.
What is the InChIKey of 1-[2-(2,6-dioxo-1,3-diazinan-1-yl)acetyl]-4-phenylpiperidine-4-carbonitrile?
The InChIKey is ZGEXOWVFHNSTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c19-13-18(14-4-2-1-3-5-14)7-10-21(11-8-18)16(24)12-22-15(23)6-9-20-17(22)25/h1-5H,6-12H2,(H,20,25).
What are the key properties of 1-[2-(2,6-dioxo-1,3-diazinan-1-yl)acetyl]-4-phenylpiperidine-4-carbonitrile?
1-[2-(2,6-dioxo-1,3-diazinan-1-yl)acetyl]-4-phenylpiperidine-4-carbonitrile has a molecular weight of 340.38 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,6-dioxo-1,3-diazinan-1-yl)acetyl]-4-phenylpiperidine-4-carbonitrile is sourced from PubChem (CID 72846382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).