5-chloro-2-[(3R)-3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]benzonitrile

C15H17ClN4O — CID 96547785

IUPAC5-chloro-2-[(3R)-3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]benzonitrile
SMILESN#Cc1cc(Cl)ccc1N1CCC[C@@H](N2CCNC2=O)C1
InChIInChI=1S/C15H17ClN4O/c16-12-3-4-14(11(8-12)9-17)19-6-1-2-13(10-19)20-7-5-18-15(20)21/h3-4,8,13H,1-2,5-7,10H2,(H,18,21)/t13-/m1/s1
InChIKeyMKMUCTIAKZRXNC-CYBMUJFWSA-N
MW304.78 g/mol
LogP2.21
Rot. Bonds2

About 5-chloro-2-[(3R)-3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]benzonitrile

5-chloro-2-[(3R)-3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]benzonitrile (PubChem CID 96547785) has the molecular formula C15H17ClN4O and a molecular weight of 304.78 g/mol. Its IUPAC name is 5-chloro-2-[(3R)-3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]benzonitrile.

Molecular Properties

Compound Name5-chloro-2-[(3R)-3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]benzonitrile
PubChem CID96547785
Molecular FormulaC15H17ClN4O
Molecular Weight304.78 g/mol
Exact Mass304.11
IUPAC Name5-chloro-2-[(3R)-3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]benzonitrile
SMILESN#Cc1cc(Cl)ccc1N1CCC[C@@H](N2CCNC2=O)C1
InChIInChI=1S/C15H17ClN4O/c16-12-3-4-14(11(8-12)9-17)19-6-1-2-13(10-19)20-7-5-18-15(20)21/h3-4,8,13H,1-2,5-7,10H2,(H,18,21)/t13-/m1/s1
InChIKeyMKMUCTIAKZRXNC-CYBMUJFWSA-N
XLogP2.21
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(3R)-3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]benzonitrile?
The IUPAC name of 5-chloro-2-[(3R)-3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]benzonitrile (CID 96547785) is 5-chloro-2-[(3R)-3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]benzonitrile.
What is the SMILES notation for 5-chloro-2-[(3R)-3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]benzonitrile?
The canonical SMILES for 5-chloro-2-[(3R)-3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]benzonitrile is N#Cc1cc(Cl)ccc1N1CCC[C@@H](N2CCNC2=O)C1.
What is the InChIKey of 5-chloro-2-[(3R)-3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]benzonitrile?
The InChIKey is MKMUCTIAKZRXNC-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H17ClN4O/c16-12-3-4-14(11(8-12)9-17)19-6-1-2-13(10-19)20-7-5-18-15(20)21/h3-4,8,13H,1-2,5-7,10H2,(H,18,21)/t13-/m1/s1.
What are the key properties of 5-chloro-2-[(3R)-3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]benzonitrile?
5-chloro-2-[(3R)-3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]benzonitrile has a molecular weight of 304.78 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(3R)-3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]benzonitrile is sourced from PubChem (CID 96547785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).