1-[(3R)-3-(2-oxoimidazolidin-1-yl)piperidine-1-carbonyl]cyclohexane-1-carbonitrile

C16H24N4O2 — CID 95590992

IUPAC1-[(3R)-3-(2-oxoimidazolidin-1-yl)piperidine-1-carbonyl]cyclohexane-1-carbonitrile
SMILESN#CC1(C(=O)N2CCC[C@@H](N3CCNC3=O)C2)CCCCC1
InChIInChI=1S/C16H24N4O2/c17-12-16(6-2-1-3-7-16)14(21)19-9-4-5-13(11-19)20-10-8-18-15(20)22/h13H,1-11H2,(H,18,22)/t13-/m1/s1
InChIKeyWXGZTSWSJKJCJW-CYBMUJFWSA-N
MW304.39 g/mol
LogP1.48
Rot. Bonds2

About 1-[(3R)-3-(2-oxoimidazolidin-1-yl)piperidine-1-carbonyl]cyclohexane-1-carbonitrile

1-[(3R)-3-(2-oxoimidazolidin-1-yl)piperidine-1-carbonyl]cyclohexane-1-carbonitrile (PubChem CID 95590992) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-[(3R)-3-(2-oxoimidazolidin-1-yl)piperidine-1-carbonyl]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-[(3R)-3-(2-oxoimidazolidin-1-yl)piperidine-1-carbonyl]cyclohexane-1-carbonitrile
PubChem CID95590992
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name1-[(3R)-3-(2-oxoimidazolidin-1-yl)piperidine-1-carbonyl]cyclohexane-1-carbonitrile
SMILESN#CC1(C(=O)N2CCC[C@@H](N3CCNC3=O)C2)CCCCC1
InChIInChI=1S/C16H24N4O2/c17-12-16(6-2-1-3-7-16)14(21)19-9-4-5-13(11-19)20-10-8-18-15(20)22/h13H,1-11H2,(H,18,22)/t13-/m1/s1
InChIKeyWXGZTSWSJKJCJW-CYBMUJFWSA-N
XLogP1.48
TPSA76.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-(2-oxoimidazolidin-1-yl)piperidine-1-carbonyl]cyclohexane-1-carbonitrile?
The IUPAC name of 1-[(3R)-3-(2-oxoimidazolidin-1-yl)piperidine-1-carbonyl]cyclohexane-1-carbonitrile (CID 95590992) is 1-[(3R)-3-(2-oxoimidazolidin-1-yl)piperidine-1-carbonyl]cyclohexane-1-carbonitrile.
What is the SMILES notation for 1-[(3R)-3-(2-oxoimidazolidin-1-yl)piperidine-1-carbonyl]cyclohexane-1-carbonitrile?
The canonical SMILES for 1-[(3R)-3-(2-oxoimidazolidin-1-yl)piperidine-1-carbonyl]cyclohexane-1-carbonitrile is N#CC1(C(=O)N2CCC[C@@H](N3CCNC3=O)C2)CCCCC1.
What is the InChIKey of 1-[(3R)-3-(2-oxoimidazolidin-1-yl)piperidine-1-carbonyl]cyclohexane-1-carbonitrile?
The InChIKey is WXGZTSWSJKJCJW-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H24N4O2/c17-12-16(6-2-1-3-7-16)14(21)19-9-4-5-13(11-19)20-10-8-18-15(20)22/h13H,1-11H2,(H,18,22)/t13-/m1/s1.
What are the key properties of 1-[(3R)-3-(2-oxoimidazolidin-1-yl)piperidine-1-carbonyl]cyclohexane-1-carbonitrile?
1-[(3R)-3-(2-oxoimidazolidin-1-yl)piperidine-1-carbonyl]cyclohexane-1-carbonitrile has a molecular weight of 304.39 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-(2-oxoimidazolidin-1-yl)piperidine-1-carbonyl]cyclohexane-1-carbonitrile is sourced from PubChem (CID 95590992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).